CID 360295

Nsc622330

Structural Information

Molecular Formula
C17H15NO3
SMILES
CC(C(=O)C1=CC=CC=C1)C2(C3=CC=CC=C3NC2=O)O
InChI
InChI=1S/C17H15NO3/c1-11(15(19)12-7-3-2-4-8-12)17(21)13-9-5-6-10-14(13)18-16(17)20/h2-11,21H,1H3,(H,18,20)
InChIKey
MLPNSESWKUBXIN-UHFFFAOYSA-N
Compound name
3-hydroxy-3-(1-oxo-1-phenylpropan-2-yl)-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

281.1052 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.112476 165.0
[M+Na]+ 304.094418 172.3
[M-H]- 280.097924 168.9
[M+NH4]+ 299.139023 182.5
[M+K]+ 320.068358 167.3
[M+H-H2O]+ 264.102460 158.1
[M+HCOO]- 326.103401 182.1
[M+CH3COO]- 340.119051 194.7
[M+Na-2H]- 302.079866 167.4
[M]+ 281.10465142 162.8
[M]- 281.10574858 162.8
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.