CID 4261502

2-amino-4-[4-(dimethylamino)phenyl]-1-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile

Structural Information

Molecular Formula
C25H26N4O
SMILES
CC1=CC=C(C=C1)N2C3=C(C(C(=C2N)C#N)C4=CC=C(C=C4)N(C)C)C(=O)CCC3
InChI
InChI=1S/C25H26N4O/c1-16-7-11-19(12-8-16)29-21-5-4-6-22(30)24(21)23(20(15-26)25(29)27)17-9-13-18(14-10-17)28(2)3/h7-14,23H,4-6,27H2,1-3H3
InChIKey
DVXSRTFJLDSJNQ-UHFFFAOYSA-N
Compound name
2-amino-4-[4-(dimethylamino)phenyl]-1-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.21066 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.21794 205.0
[M+Na]+ 421.19988 213.8
[M-H]- 397.20338 211.9
[M+NH4]+ 416.24448 213.9
[M+K]+ 437.17382 204.7
[M+H-H2O]+ 381.20792 187.9
[M+HCOO]- 443.20886 219.2
[M+CH3COO]- 457.22451 211.7
[M+Na-2H]- 419.18533 203.0
[M]+ 398.21011 196.9
[M]- 398.21121 196.9
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.