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]+ 282.11248 165.0
[M+Na]+ 304.09442 172.3
[M-H]- 280.09792 168.9
[M+NH4]+ 299.13902 182.5
[M+K]+ 320.06836 167.3
[M+H-H2O]+ 264.10246 158.1
[M+HCOO]- 326.10340 182.1
[M+CH3COO]- 340.11905 194.7
[M+Na-2H]- 302.07987 167.4
[M]+ 281.10465 162.8
[M]- 281.10575 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.