CID 4191176

4-(2-amino-3-cyano-7,7-dimethyl-4-(4-methylphenyl)-5-oxo-5,6,7,8-tetrahydro-1(4h)-quinolinyl)benzenesulfonamide

Structural Information

Molecular Formula
C25H26N4O3S
SMILES
CC1=CC=C(C=C1)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=CC=C(C=C4)S(=O)(=O)N)N)C#N
InChI
InChI=1S/C25H26N4O3S/c1-15-4-6-16(7-5-15)22-19(14-26)24(27)29(17-8-10-18(11-9-17)33(28,31)32)20-12-25(2,3)13-21(30)23(20)22/h4-11,22H,12-13,27H2,1-3H3,(H2,28,31,32)
InChIKey
OAILHODFFSOJOM-UHFFFAOYSA-N
Compound name
4-[2-amino-3-cyano-7,7-dimethyl-4-(4-methylphenyl)-5-oxo-6,8-dihydro-4H-quinolin-1-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

462.17258 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.17986 205.4
[M+Na]+ 485.16180 217.2
[M+NH4]+ 480.20640 209.2
[M+K]+ 501.13574 204.5
[M-H]- 461.16530 203.4
[M+Na-2H]- 483.14725 210.1
[M]+ 462.17203 206.3
[M]- 462.17313 206.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.