CID 3620610

444928-01-2

Structural Information

Molecular Formula
C30H26N4O4
SMILES
CC1=C(C=C(C=C1)[N+](=O)[O-])N2C3=C(C(C(=C2N)C#N)C4=CC=C(C=C4)OC)C(=O)CC(C3)C5=CC=CC=C5
InChI
InChI=1S/C30H26N4O4/c1-18-8-11-22(34(36)37)16-25(18)33-26-14-21(19-6-4-3-5-7-19)15-27(35)29(26)28(24(17-31)30(33)32)20-9-12-23(38-2)13-10-20/h3-13,16,21,28H,14-15,32H2,1-2H3
InChIKey
ZTDIZNRKNRVPBK-UHFFFAOYSA-N
Compound name
2-amino-4-(4-methoxyphenyl)-1-(2-methyl-5-nitrophenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

506.1954 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.20268 236.0
[M+Na]+ 529.18462 242.6
[M-H]- 505.18812 243.2
[M+NH4]+ 524.22922 238.4
[M+K]+ 545.15856 228.7
[M+H-H2O]+ 489.19266 220.5
[M+HCOO]- 551.19360 248.1
[M+CH3COO]- 565.20925 249.9
[M+Na-2H]- 527.17007 233.6
[M]+ 506.19485 226.5
[M]- 506.19595 226.5
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.