CID 3337127

156496-74-1

Structural Information

Molecular Formula
C24H23N3O
SMILES
CC1(CC2=C(C(C(=C(N2C3=CC=CC=C3)N)C#N)C4=CC=CC=C4)C(=O)C1)C
InChI
InChI=1S/C24H23N3O/c1-24(2)13-19-22(20(28)14-24)21(16-9-5-3-6-10-16)18(15-25)23(26)27(19)17-11-7-4-8-12-17/h3-12,21H,13-14,26H2,1-2H3
InChIKey
XINMPGIIQPVXES-UHFFFAOYSA-N
Compound name
2-amino-7,7-dimethyl-5-oxo-1,4-diphenyl-6,8-dihydro-4H-quinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

369.1841 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.19138 197.7
[M+Na]+ 392.17332 208.4
[M-H]- 368.17682 203.9
[M+NH4]+ 387.21792 209.3
[M+K]+ 408.14726 197.4
[M+H-H2O]+ 352.18136 181.2
[M+HCOO]- 414.18230 211.2
[M+CH3COO]- 428.19795 205.1
[M+Na-2H]- 390.15877 197.9
[M]+ 369.18355 188.9
[M]- 369.18465 188.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.