CID 1739297

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

Structural Information

Molecular Formula
C25H20BrNO2
SMILES
CC1=CC2=C(C=C1)N=C(C=C2C(=O)OC3=CC=CC(=C3C)C)C4=CC=C(C=C4)Br
InChI
InChI=1S/C25H20BrNO2/c1-15-7-12-22-20(13-15)21(14-23(27-22)18-8-10-19(26)11-9-18)25(28)29-24-6-4-5-16(2)17(24)3/h4-14H,1-3H3
InChIKey
RQNNFTCUIVZQHL-UHFFFAOYSA-N
Compound name
(2,3-dimethylphenyl) 2-(4-bromophenyl)-6-methylquinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

445.06775 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.07503 202.8
[M+Na]+ 468.05697 214.0
[M-H]- 444.06047 214.4
[M+NH4]+ 463.10157 215.4
[M+K]+ 484.03091 201.1
[M+H-H2O]+ 428.06501 198.9
[M+HCOO]- 490.06595 219.7
[M+CH3COO]- 504.08160 214.2
[M+Na-2H]- 466.04242 205.1
[M]+ 445.06720 223.7
[M]- 445.06830 223.7
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.