CID 1739377

2,3-dimethylphenyl 8-methyl-2-phenyl-4-quinolinecarboxylate

Structural Information

Molecular Formula
C25H21NO2
SMILES
CC1=C(C(=CC=C1)OC(=O)C2=CC(=NC3=C(C=CC=C23)C)C4=CC=CC=C4)C
InChI
InChI=1S/C25H21NO2/c1-16-9-8-14-23(18(16)3)28-25(27)21-15-22(19-11-5-4-6-12-19)26-24-17(2)10-7-13-20(21)24/h4-15H,1-3H3
InChIKey
XHMNKJCXYLMOOC-UHFFFAOYSA-N
Compound name
(2,3-dimethylphenyl) 8-methyl-2-phenylquinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.15723 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.16451 191.7
[M+Na]+ 390.14645 200.3
[M-H]- 366.14995 201.2
[M+NH4]+ 385.19105 203.4
[M+K]+ 406.12039 193.8
[M+H-H2O]+ 350.15449 180.5
[M+HCOO]- 412.15543 211.1
[M+CH3COO]- 426.17108 202.0
[M+Na-2H]- 388.13190 194.2
[M]+ 367.15668 194.0
[M]- 367.15778 194.0
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.