CID 1347536

355420-42-7

Structural Information

Molecular Formula
C24H15ClN2O5
SMILES
C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Cl)C(=C2)C(=O)OCC(=O)C4=CC(=CC=C4)[N+](=O)[O-]
InChI
InChI=1S/C24H15ClN2O5/c25-17-9-10-21-19(12-17)20(13-22(26-21)15-5-2-1-3-6-15)24(29)32-14-23(28)16-7-4-8-18(11-16)27(30)31/h1-13H,14H2
InChIKey
YRWPTYLGQSAOGH-UHFFFAOYSA-N
Compound name
[2-(3-nitrophenyl)-2-oxoethyl] 6-chloro-2-phenylquinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.06696 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.07424 203.7
[M+Na]+ 469.05618 209.0
[M-H]- 445.05968 212.2
[M+NH4]+ 464.10078 210.7
[M+K]+ 485.03012 199.3
[M+H-H2O]+ 429.06422 197.0
[M+HCOO]- 491.06516 218.8
[M+CH3COO]- 505.08081 223.4
[M+Na-2H]- 467.04163 207.8
[M]+ 446.06641 206.4
[M]- 446.06751 206.4
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.