CID 44413

Ccris 9126

Structural Information

Molecular Formula
C27H24ClNO4
SMILES
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)OC(C)C4=CC=CC=C4
InChI
InChI=1S/C27H24ClNO4/c1-17-23(16-26(30)33-18(2)19-7-5-4-6-8-19)24-15-22(32-3)13-14-25(24)29(17)27(31)20-9-11-21(28)12-10-20/h4-15,18H,16H2,1-3H3
InChIKey
KYNSOZVURQLGOK-UHFFFAOYSA-N
Compound name
1-phenylethyl 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

461.13937 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.14665 210.4
[M+Na]+ 484.12859 227.0
[M+NH4]+ 479.17319 217.4
[M+K]+ 500.10253 220.0
[M-H]- 460.13209 216.0
[M+Na-2H]- 482.11404 218.6
[M]+ 461.13882 214.9
[M]- 461.13992 214.9
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.