PubChemLite - Papaveraldine 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]+	468.24931	216.8
[M+Na]+	490.23125	221.6
[M-H]-	466.23475	224.9
[M+NH4]+	485.27585	225.1
[M+K]+	506.20519	220.1
[M+H-H2O]+	450.23929	204.5
[M+HCOO]-	512.24023	239.1
[M+CH3COO]-	526.25588	249.2
[M+Na-2H]-	488.21670	217.8
[M]+	467.24148	228.1
[M]-	467.24258	228.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

468.24931

216.8

[M+Na]+

490.23125

221.6

[M-H]-

466.23475

224.9

[M+NH4]+

485.27585

225.1

[M+K]+

506.20519

220.1

[M+H-H2O]+

450.23929

204.5

[M+HCOO]-

512.24023

239.1

[M+CH3COO]-

526.25588

249.2

[M+Na-2H]-

488.21670

217.8

[M]+

467.24148

228.1

[M]-

467.24258

228.1

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

Papaveraldine o-((2-diethylamino)ethyl)oxime dihydrochloride

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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