CID 1379079

351327-52-1

Structural Information

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

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.05428 180.4
[M+Na]+ 422.03622 186.1
[M+NH4]+ 417.08082 184.5
[M+K]+ 438.01016 184.8
[M-H]- 398.03972 182.8
[M+Na-2H]- 420.02167 184.8
[M]+ 399.04645 180.9
[M]- 399.04755 180.9
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.