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
2
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]+ 447.146976 208.9
[M+Na]+ 469.128918 217.2
[M-H]- 445.132424 217.5
[M+NH4]+ 464.173523 219.2
[M+K]+ 485.102858 209.2
[M+H-H2O]+ 429.136960 199.5
[M+HCOO]- 491.137901 224.8
[M+CH3COO]- 505.153551 217.8
[M+Na-2H]- 467.114366 208.0
[M]+ 446.13915142 214.3
[M]- 446.14024858 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.