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

literature stripe

Patent stripe

patents stripe