CID 1347006

346639-79-0

Structural Information

Molecular Formula
C24H16ClNO3
SMILES
C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Cl)C(=C2)C(=O)OCC(=O)C4=CC=CC=C4
InChI
InChI=1S/C24H16ClNO3/c25-18-11-12-21-19(13-18)20(14-22(26-21)16-7-3-1-4-8-16)24(28)29-15-23(27)17-9-5-2-6-10-17/h1-14H,15H2
InChIKey
MLOCNVNJNKZVIH-UHFFFAOYSA-N
Compound name
phenacyl 6-chloro-2-phenylquinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.08188 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.08916 194.2
[M+Na]+ 424.07110 201.9
[M-H]- 400.07460 202.8
[M+NH4]+ 419.11570 204.4
[M+K]+ 440.04504 194.8
[M+H-H2O]+ 384.07914 183.4
[M+HCOO]- 446.08008 208.8
[M+CH3COO]- 460.09573 203.6
[M+Na-2H]- 422.05655 197.3
[M]+ 401.08133 198.0
[M]- 401.08243 198.0
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.