CID 99051

3-hydroxy-3-phenacyloxindole

Structural Information

Molecular Formula
C16H13NO3
SMILES
C1=CC=C(C=C1)C(=O)CC2(C3=CC=CC=C3NC2=O)O
InChI
InChI=1S/C16H13NO3/c18-14(11-6-2-1-3-7-11)10-16(20)12-8-4-5-9-13(12)17-15(16)19/h1-9,20H,10H2,(H,17,19)
InChIKey
BIOYMYKQUHGHGY-UHFFFAOYSA-N
Compound name
3-hydroxy-3-phenacyl-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

17
References

23
Patents

267.08954 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.09682 160.4
[M+Na]+ 290.07876 168.5
[M-H]- 266.08226 164.4
[M+NH4]+ 285.12336 178.6
[M+K]+ 306.05270 163.1
[M+H-H2O]+ 250.08680 153.5
[M+HCOO]- 312.08774 179.0
[M+CH3COO]- 326.10339 171.8
[M+Na-2H]- 288.06421 164.5
[M]+ 267.08899 158.5
[M]- 267.09009 158.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.