PubChemLite - 339336-46-8 (C26H24F3N3O2)

Structural Information

Molecular Formula

SMILES

CC1(CC2=C(C(C(=C(N2C3=CC=CC=C3C(F)(F)F)N)C#N)C4=CC=C(C=C4)OC)C(=O)C1)C

InChI

InChI=1S/C26H24F3N3O2/c1-25(2)12-20-23(21(33)13-25)22(15-8-10-16(34-3)11-9-15)17(14-30)24(31)32(20)19-7-5-4-6-18(19)26(27,28)29/h4-11,22H,12-13,31H2,1-3H3

InChIKey

RVLRLSBVFFXYCG-UHFFFAOYSA-N

Compound name

2-amino-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1-[2-(trifluoromethyl)phenyl]-6,8-dihydro-4H-quinoline-3-carbonitrile

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]+	468.18935	217.3
[M+Na]+	490.17129	228.5
[M-H]-	466.17479	220.2
[M+NH4]+	485.21589	225.5
[M+K]+	506.14523	218.3
[M+H-H2O]+	450.17933	198.7
[M+HCOO]-	512.18027	225.9
[M+CH3COO]-	526.19592	246.9
[M+Na-2H]-	488.15674	214.7
[M]+	467.18152	207.7
[M]-	467.18262	207.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

468.18935

217.3

[M+Na]+

490.17129

228.5

[M-H]-

466.17479

220.2

[M+NH4]+

485.21589

225.5

[M+K]+

506.14523

218.3

[M+H-H2O]+

450.17933

198.7

[M+HCOO]-

512.18027

225.9

[M+CH3COO]-

526.19592

246.9

[M+Na-2H]-

488.15674

214.7

[M]+

467.18152

207.7

[M]-

467.18262

207.7

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

339336-46-8

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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