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]+ 475.14192 215.0
[M+Na]+ 497.12386 222.8
[M-H]- 473.12736 224.9
[M+NH4]+ 492.16846 224.5
[M+K]+ 513.09780 216.3
[M+H-H2O]+ 457.13190 205.1
[M+HCOO]- 519.13284 231.3
[M+CH3COO]- 533.14849 238.1
[M+Na-2H]- 495.10931 213.0
[M]+ 474.13409 222.6
[M]- 474.13519 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.