CID 4997074

339339-19-4

Structural Information

Molecular Formula
C25H24N4O3
SMILES
CC1=CC=C(C=C1)N2C3=C(C(C(=C2N)C#N)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)CC(C3)(C)C
InChI
InChI=1S/C25H24N4O3/c1-15-7-9-17(10-8-15)28-20-12-25(2,3)13-21(30)23(20)22(19(14-26)24(28)27)16-5-4-6-18(11-16)29(31)32/h4-11,22H,12-13,27H2,1-3H3
InChIKey
CTVAORYMLLCGPJ-UHFFFAOYSA-N
Compound name
2-amino-7,7-dimethyl-1-(4-methylphenyl)-4-(3-nitrophenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.18484 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.19212 204.2
[M+Na]+ 451.17406 218.5
[M+NH4]+ 446.21866 209.0
[M+K]+ 467.14800 207.8
[M-H]- 427.17756 204.3
[M+Na-2H]- 449.15951 208.9
[M]+ 428.18429 205.6
[M]- 428.18539 205.6
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.