CID 5244212

141076-58-6

Structural Information

Molecular Formula
C25H25N3O
SMILES
CC1=CC=C(C=C1)N2C3=C(C(C(=C2N)C#N)C4=CC=CC=C4)C(=O)CC(C3)(C)C
InChI
InChI=1S/C25H25N3O/c1-16-9-11-18(12-10-16)28-20-13-25(2,3)14-21(29)23(20)22(19(15-26)24(28)27)17-7-5-4-6-8-17/h4-12,22H,13-14,27H2,1-3H3
InChIKey
WNFVCDGQLWCYDJ-UHFFFAOYSA-N
Compound name
2-amino-7,7-dimethyl-1-(4-methylphenyl)-5-oxo-4-phenyl-6,8-dihydro-4H-quinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

383.19977 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.20705 201.6
[M+Na]+ 406.18899 212.7
[M-H]- 382.19249 208.1
[M+NH4]+ 401.23359 213.0
[M+K]+ 422.16293 201.8
[M+H-H2O]+ 366.19703 185.3
[M+HCOO]- 428.19797 214.8
[M+CH3COO]- 442.21362 209.0
[M+Na-2H]- 404.17444 200.8
[M]+ 383.19922 193.5
[M]- 383.20032 193.5
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.