CID 5903258

Nsc626527

Structural Information

Molecular Formula
C23H15ClN2O3
SMILES
C1=CC=C(C=C1)/C=C(/C2=C(C=C3C(=C2)C(=O)C(=CN3)C4=CC=CC=C4)[N+](=O)[O-])\Cl
InChI
InChI=1S/C23H15ClN2O3/c24-20(11-15-7-3-1-4-8-15)17-12-18-21(13-22(17)26(28)29)25-14-19(23(18)27)16-9-5-2-6-10-16/h1-14H,(H,25,27)/b20-11-
InChIKey
HVYIIKIMQGEMEM-JAIQZWGSSA-N
Compound name
6-[(Z)-1-chloro-2-phenylethenyl]-7-nitro-3-phenyl-1H-quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.07712 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.08440 194.3
[M+Na]+ 425.06634 200.7
[M-H]- 401.06984 201.6
[M+NH4]+ 420.11094 203.0
[M+K]+ 441.04028 188.1
[M+H-H2O]+ 385.07438 188.5
[M+HCOO]- 447.07532 209.1
[M+CH3COO]- 461.09097 213.3
[M+Na-2H]- 423.05179 199.1
[M]+ 402.07657 193.0
[M]- 402.07767 193.0
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.