CID 1907568

355420-62-1

Structural Information

Molecular Formula
C25H17BrClNO3
SMILES
CC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Cl)C(=C2)C(=O)OCC(=O)C4=CC=C(C=C4)Br
InChI
InChI=1S/C25H17BrClNO3/c1-15-2-4-16(5-3-15)23-13-21(20-12-19(27)10-11-22(20)28-23)25(30)31-14-24(29)17-6-8-18(26)9-7-17/h2-13H,14H2,1H3
InChIKey
WFCALVDHBNRKCM-UHFFFAOYSA-N
Compound name
[2-(4-bromophenyl)-2-oxoethyl] 6-chloro-2-(4-methylphenyl)quinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

493.00803 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 494.01531 202.3
[M+Na]+ 515.99725 210.8
[M+NH4]+ 511.04185 206.7
[M+K]+ 531.97119 207.2
[M-H]- 492.00075 207.0
[M+Na-2H]- 513.98270 208.7
[M]+ 493.00748 204.3
[M]- 493.00858 204.3
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.