CID 1929858

355432-93-8

Structural Information

Molecular Formula
C20H18BrNO3
SMILES
CCCOC(=O)C1=CC(=NC2=C1C=C(C=C2)Br)C3=CC=C(C=C3)OC
InChI
InChI=1S/C20H18BrNO3/c1-3-10-25-20(23)17-12-19(13-4-7-15(24-2)8-5-13)22-18-9-6-14(21)11-16(17)18/h4-9,11-12H,3,10H2,1-2H3
InChIKey
GSOZQZYIEQZTKR-UHFFFAOYSA-N
Compound name
propyl 6-bromo-2-(4-methoxyphenyl)quinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.047 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.05428 186.4
[M+Na]+ 422.03622 197.2
[M-H]- 398.03972 195.0
[M+NH4]+ 417.08082 201.1
[M+K]+ 438.01016 185.5
[M+H-H2O]+ 382.04426 183.7
[M+HCOO]- 444.04520 204.3
[M+CH3COO]- 458.06085 218.3
[M+Na-2H]- 420.02167 191.0
[M]+ 399.04645 209.2
[M]- 399.04755 209.2
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.