CID 10027899

Ns00116490

Structural Information

Molecular Formula
C27H23ClN2O4
SMILES
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)NCC(=O)C4=CC=CC=C4
InChI
InChI=1S/C27H23ClN2O4/c1-17-22(15-26(32)29-16-25(31)18-6-4-3-5-7-18)23-14-21(34-2)12-13-24(23)30(17)27(33)19-8-10-20(28)11-9-19/h3-14H,15-16H2,1-2H3,(H,29,32)
InChIKey
STLPREOBDIPUMI-UHFFFAOYSA-N
Compound name
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-phenacylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

474.13464 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.141916 215.0
[M+Na]+ 497.123858 222.8
[M-H]- 473.127364 224.9
[M+NH4]+ 492.168463 224.5
[M+K]+ 513.097798 216.3
[M+H-H2O]+ 457.131900 205.1
[M+HCOO]- 519.132841 231.3
[M+CH3COO]- 533.148491 238.1
[M+Na-2H]- 495.109306 213.0
[M]+ 474.13409142 222.6
[M]- 474.13518858 222.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.