CID 1739316

4-methylphenyl 2-(4-methylphenyl)-4-quinolinecarboxylate

Structural Information

Molecular Formula
C24H19NO2
SMILES
CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OC4=CC=C(C=C4)C
InChI
InChI=1S/C24H19NO2/c1-16-7-11-18(12-8-16)23-15-21(20-5-3-4-6-22(20)25-23)24(26)27-19-13-9-17(2)10-14-19/h3-15H,1-2H3
InChIKey
NVFBWJNPXZFSRT-UHFFFAOYSA-N
Compound name
(4-methylphenyl) 2-(4-methylphenyl)quinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.14157 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.14885 187.0
[M+Na]+ 376.13079 195.2
[M-H]- 352.13429 196.3
[M+NH4]+ 371.17539 198.9
[M+K]+ 392.10473 188.8
[M+H-H2O]+ 336.13883 175.9
[M+HCOO]- 398.13977 206.8
[M+CH3COO]- 412.15542 197.3
[M+Na-2H]- 374.11624 190.8
[M]+ 353.14102 188.5
[M]- 353.14212 188.5
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.