CID 1884985

Propyl 2-(4-bromophenyl)quinoline-4-carboxylate

Structural Information

Molecular Formula
C19H16BrNO2
SMILES
CCCOC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)Br
InChI
InChI=1S/C19H16BrNO2/c1-2-11-23-19(22)16-12-18(13-7-9-14(20)10-8-13)21-17-6-4-3-5-15(16)17/h3-10,12H,2,11H2,1H3
InChIKey
YSABLNSRFKTIDA-UHFFFAOYSA-N
Compound name
propyl 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

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.043716 179.3
[M+Na]+ 392.025658 190.0
[M-H]- 368.029164 187.8
[M+NH4]+ 387.070263 195.0
[M+K]+ 407.999598 177.8
[M+H-H2O]+ 352.033700 176.9
[M+HCOO]- 414.034641 197.4
[M+CH3COO]- 428.050291 212.5
[M+Na-2H]- 390.011106 185.0
[M]+ 369.03589142 200.1
[M]- 369.03698858 200.1
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.