CID 1739302

3,4-dimethylphenyl 2-(4-methoxyphenyl)-6-methyl-4-quinolinecarboxylate

Structural Information

Molecular Formula
C26H23NO3
SMILES
CC1=CC2=C(C=C1)N=C(C=C2C(=O)OC3=CC(=C(C=C3)C)C)C4=CC=C(C=C4)OC
InChI
InChI=1S/C26H23NO3/c1-16-5-12-24-22(13-16)23(26(28)30-21-9-6-17(2)18(3)14-21)15-25(27-24)19-7-10-20(29-4)11-8-19/h5-15H,1-4H3
InChIKey
AQBAIXHRJOEGEQ-UHFFFAOYSA-N
Compound name
(3,4-dimethylphenyl) 2-(4-methoxyphenyl)-6-methylquinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.1678 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.17508 199.7
[M+Na]+ 420.15702 208.5
[M-H]- 396.16052 209.4
[M+NH4]+ 415.20162 210.3
[M+K]+ 436.13096 202.7
[M+H-H2O]+ 380.16506 188.2
[M+HCOO]- 442.16600 218.8
[M+CH3COO]- 456.18165 209.6
[M+Na-2H]- 418.14247 201.0
[M]+ 397.16725 204.1
[M]- 397.16835 204.1
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.