CID 1739273

Phenyl 8-methyl-2-phenyl-4-quinolinecarboxylate

Structural Information

Molecular Formula
C23H17NO2
SMILES
CC1=C2C(=CC=C1)C(=CC(=N2)C3=CC=CC=C3)C(=O)OC4=CC=CC=C4
InChI
InChI=1S/C23H17NO2/c1-16-9-8-14-19-20(23(25)26-18-12-6-3-7-13-18)15-21(24-22(16)19)17-10-4-2-5-11-17/h2-15H,1H3
InChIKey
VPVMWHJXGOCBIB-UHFFFAOYSA-N
Compound name
phenyl 8-methyl-2-phenylquinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.12592 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.13320 182.2
[M+Na]+ 362.11514 189.9
[M-H]- 338.11864 191.2
[M+NH4]+ 357.15974 194.4
[M+K]+ 378.08908 183.6
[M+H-H2O]+ 322.12318 171.1
[M+HCOO]- 384.12412 202.3
[M+CH3COO]- 398.13977 192.6
[M+Na-2H]- 360.10059 187.3
[M]+ 339.12537 182.9
[M]- 339.12647 182.9
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.