CID 325380

60463-77-6

Structural Information

Molecular Formula

C₁₇H₁₅NO₃

SMILES

CN1C2=CC=CC=C2C(C1=O)(CC(=O)C3=CC=CC=C3)O

InChI

InChI=1S/C17H15NO3/c1-18-14-10-6-5-9-13(14)17(21,16(18)20)11-15(19)12-7-3-2-4-8-12/h2-10,21H,11H2,1H3

InChIKey

XVAZUZCWRIBPLR-UHFFFAOYSA-N

Compound name

3-hydroxy-1-methyl-3-phenacylindol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 2
Patents: 281.1052 Da
Monoisotopic Mass: 2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	282.112476	164.0
[M+Na]+	304.094418	173.0
[M-H]-	280.097924	169.6
[M+NH4]+	299.139023	182.6
[M+K]+	320.068358	168.3
[M+H-H2O]+	264.102460	156.9
[M+HCOO]-	326.103401	183.7
[M+CH3COO]-	340.119051	197.4
[M+Na-2H]-	302.079866	167.3
[M]+	281.10465142	164.7
[M]-	281.10574858	164.7

Literature stripe

literature stripe

Patent stripe

patents stripe