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]+ 370.04372 179.3
[M+Na]+ 392.02566 190.0
[M-H]- 368.02916 187.8
[M+NH4]+ 387.07026 195.0
[M+K]+ 407.99960 177.8
[M+H-H2O]+ 352.03370 176.9
[M+HCOO]- 414.03464 197.4
[M+CH3COO]- 428.05029 212.5
[M+Na-2H]- 390.01111 185.0
[M]+ 369.03589 200.1
[M]- 369.03699 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.