CID 1216544

Methyl 6-bromo-2-(4-methoxyphenyl)-4-quinolinecarboxylate

Structural Information

Molecular Formula
C18H14BrNO3
SMILES
COC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)OC
InChI
InChI=1S/C18H14BrNO3/c1-22-13-6-3-11(4-7-13)17-10-15(18(21)23-2)14-9-12(19)5-8-16(14)20-17/h3-10H,1-2H3
InChIKey
RIFJKCGGBHVJOJ-UHFFFAOYSA-N
Compound name
methyl 6-bromo-2-(4-methoxyphenyl)quinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.01572 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.02300 177.1
[M+Na]+ 394.00494 188.8
[M-H]- 370.00844 186.1
[M+NH4]+ 389.04954 192.9
[M+K]+ 409.97888 177.6
[M+H-H2O]+ 354.01298 174.8
[M+HCOO]- 416.01392 195.7
[M+CH3COO]- 430.02957 212.8
[M+Na-2H]- 391.99039 182.8
[M]+ 371.01517 199.4
[M]- 371.01627 199.4
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.