CID 1929925

355421-83-9

Structural Information

Molecular Formula
C26H19BrClNO3
SMILES
CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=C(C=C4)Cl)C
InChI
InChI=1S/C26H19BrClNO3/c1-15-3-4-18(11-16(15)2)25(30)14-32-26(31)22-13-24(17-5-8-20(28)9-6-17)29-23-10-7-19(27)12-21(22)23/h3-13H,14H2,1-2H3
InChIKey
AXCSKQJOWQLWAW-UHFFFAOYSA-N
Compound name
[2-(3,4-dimethylphenyl)-2-oxoethyl] 6-bromo-2-(4-chlorophenyl)quinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

507.02368 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 508.03096 212.1
[M+Na]+ 530.01290 223.4
[M-H]- 506.01640 223.3
[M+NH4]+ 525.05750 223.0
[M+K]+ 545.98684 209.8
[M+H-H2O]+ 490.02094 208.5
[M+HCOO]- 552.02188 223.7
[M+CH3COO]- 566.03753 222.6
[M+Na-2H]- 527.99835 212.9
[M]+ 507.02313 235.8
[M]- 507.02423 235.8
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.