CID 43188

60051-79-8

Structural Information

Molecular Formula
C25H19Cl2NO4
SMILES
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)OC4=CC(=CC=C4)Cl
InChI
InChI=1S/C25H19Cl2NO4/c1-15-21(14-24(29)32-20-5-3-4-18(27)12-20)22-13-19(31-2)10-11-23(22)28(15)25(30)16-6-8-17(26)9-7-16/h3-13H,14H2,1-2H3
InChIKey
OSSMSYCTHUCLAK-UHFFFAOYSA-N
Compound name
(3-chlorophenyl) 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

467.06912 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.07640 208.9
[M+Na]+ 490.05834 220.0
[M-H]- 466.06184 218.7
[M+NH4]+ 485.10294 220.2
[M+K]+ 506.03228 212.9
[M+H-H2O]+ 450.06638 200.0
[M+HCOO]- 512.06732 220.7
[M+CH3COO]- 526.08297 218.9
[M+Na-2H]- 488.04379 207.0
[M]+ 467.06857 219.6
[M]- 467.06967 219.6
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.