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]+ 370.04372 179.3
[M+Na]+ 392.02566 189.6
[M-H]- 368.02916 187.8
[M+NH4]+ 387.07026 194.9
[M+K]+ 407.99960 177.9
[M+H-H2O]+ 352.03370 177.1
[M+HCOO]- 414.03464 196.4
[M+CH3COO]- 428.05029 213.3
[M+Na-2H]- 390.01111 183.9
[M]+ 369.03589 199.6
[M]- 369.03699 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.