CID 4586979

Isopropyl 2-(4-bromophenyl)-4-quinolinecarboxylate

Structural Information

Molecular Formula
C19H16BrNO2
SMILES
CC(C)OC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)Br
InChI
InChI=1S/C19H16BrNO2/c1-12(2)23-19(22)16-11-18(13-7-9-14(20)10-8-13)21-17-6-4-3-5-15(16)17/h3-12H,1-2H3
InChIKey
LIEVNBPVLPFEEB-UHFFFAOYSA-N
Compound name
propan-2-yl 2-(4-bromophenyl)quinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.03644 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.043716 179.3
[M+Na]+ 392.025658 189.6
[M-H]- 368.029164 187.8
[M+NH4]+ 387.070263 194.9
[M+K]+ 407.999598 177.9
[M+H-H2O]+ 352.033700 177.1
[M+HCOO]- 414.034641 196.4
[M+CH3COO]- 428.050291 213.3
[M+Na-2H]- 390.011106 183.9
[M]+ 369.03589142 199.6
[M]- 369.03698858 199.6
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.