Ketone, 6,7-dimethoxy-1-isoquinolyl 3,4-dimethoxyphenyl, o-((2-diethylamino)ethyl)oxime, dihydrochloride (C26H33N3O5)

Structural Information

Molecular Formula

SMILES

CCN(CC)CCO/N=C(\C1=CC(=C(C=C1)OC)OC)/C2=NC=CC3=CC(=C(C=C32)OC)OC

InChI

InChI=1S/C26H33N3O5/c1-7-29(8-2)13-14-34-28-25(19-9-10-21(30-3)22(16-19)31-4)26-20-17-24(33-6)23(32-5)15-18(20)11-12-27-26/h9-12,15-17H,7-8,13-14H2,1-6H3/b28-25+

InChIKey

FEVDAZVWTPPRGW-AZPGRJICSA-N

Compound name

2-[(E)-[(6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methylidene]amino]oxy-N,N-diethylethanamine

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	468.249306	216.8
[M+Na]+	490.231248	221.6
[M-H]-	466.234754	224.9
[M+NH4]+	485.275853	225.1
[M+K]+	506.205188	220.1
[M+H-H2O]+	450.239290	204.5
[M+HCOO]-	512.240231	239.1
[M+CH3COO]-	526.255881	249.2
[M+Na-2H]-	488.216696	217.8
[M]+	467.24148142	228.1
[M]-	467.24257858	228.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

468.249306

216.8

[M+Na]+

490.231248

221.6

[M-H]-

466.234754

224.9

[M+NH4]+

485.275853

225.1

[M+K]+

506.205188

220.1

[M+H-H2O]+

450.239290

204.5

[M+HCOO]-

512.240231

239.1

[M+CH3COO]-

526.255881

249.2

[M+Na-2H]-

488.216696

217.8

[M]+

467.24148142

228.1

[M]-

467.24257858

228.1

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Ketone, 6,7-dimethoxy-1-isoquinolyl 3,4-dimethoxyphenyl, o-((2-diethylamino)ethyl)oxime, dihydrochloride

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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