CID 368243

1-benzyl-3-methyl-3-hydroxyoxindole

Structural Information

Molecular Formula
C16H15NO2
SMILES
CC1(C2=CC=CC=C2N(C1=O)CC3=CC=CC=C3)O
InChI
InChI=1S/C16H15NO2/c1-16(19)13-9-5-6-10-14(13)17(15(16)18)11-12-7-3-2-4-8-12/h2-10,19H,11H2,1H3
InChIKey
QGIITDDUMCBRTM-UHFFFAOYSA-N
Compound name
1-benzyl-3-hydroxy-3-methylindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.11028 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.11756 157.3
[M+Na]+ 276.09950 167.0
[M-H]- 252.10300 163.0
[M+NH4]+ 271.14410 177.4
[M+K]+ 292.07344 161.8
[M+H-H2O]+ 236.10754 150.2
[M+HCOO]- 298.10848 178.0
[M+CH3COO]- 312.12413 170.0
[M+Na-2H]- 274.08495 162.2
[M]+ 253.10973 157.5
[M]- 253.11083 157.5
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.