CID 1739332

355433-86-2

Structural Information

Molecular Formula
C25H21NO3
SMILES
CC1=C(C(=CC=C1)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)OC)C
InChI
InChI=1S/C25H21NO3/c1-16-7-6-10-24(17(16)2)29-25(27)21-15-23(18-11-13-19(28-3)14-12-18)26-22-9-5-4-8-20(21)22/h4-15H,1-3H3
InChIKey
ADLZPHPRBHKGAS-UHFFFAOYSA-N
Compound name
(2,3-dimethylphenyl) 2-(4-methoxyphenyl)quinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

383.15213 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.15941 195.1
[M+Na]+ 406.14135 203.4
[M-H]- 382.14485 204.5
[M+NH4]+ 401.18595 205.9
[M+K]+ 422.11529 197.7
[M+H-H2O]+ 366.14939 183.6
[M+HCOO]- 428.15033 214.6
[M+CH3COO]- 442.16598 205.1
[M+Na-2H]- 404.12680 197.6
[M]+ 383.15158 198.7
[M]- 383.15268 198.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.