CID 154699633

Ns00117387

Structural Information

Molecular Formula
C26H23ClN2O3
SMILES
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)O)CC(=O)NCCC4=CC=CC=C4
InChI
InChI=1S/C26H23ClN2O3/c1-17-22(16-25(31)28-14-13-18-5-3-2-4-6-18)23-15-21(30)11-12-24(23)29(17)26(32)19-7-9-20(27)10-8-19/h2-12,15,30H,13-14,16H2,1H3,(H,28,31)
InChIKey
HDTYXEUHBXMELH-UHFFFAOYSA-N
Compound name
2-[1-(4-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]-N-(2-phenylethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.1397 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.14698 208.9
[M+Na]+ 469.12892 217.2
[M-H]- 445.13242 217.5
[M+NH4]+ 464.17352 219.2
[M+K]+ 485.10286 209.2
[M+H-H2O]+ 429.13696 199.5
[M+HCOO]- 491.13790 224.8
[M+CH3COO]- 505.15355 217.8
[M+Na-2H]- 467.11437 208.0
[M]+ 446.13915 214.3
[M]- 446.14025 214.3
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.