CID 710466

1-(3-methylbenzoyl)indoline

Structural Information

Molecular Formula

C₁₆H₁₅NO

SMILES

CC1=CC(=CC=C1)C(=O)N2CCC3=CC=CC=C32

InChI

InChI=1S/C16H15NO/c1-12-5-4-7-14(11-12)16(18)17-10-9-13-6-2-3-8-15(13)17/h2-8,11H,9-10H2,1H3

InChIKey

PJVLOZBKSVYKMD-UHFFFAOYSA-N

Compound name

2,3-dihydroindol-1-yl-(3-methylphenyl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 237.11537 Da
Monoisotopic Mass: 3.3
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]+	238.122646	154.2
[M+Na]+	260.104588	162.2
[M-H]-	236.108094	160.6
[M+NH4]+	255.149193	173.4
[M+K]+	276.078528	157.7
[M+H-H2O]+	220.112630	146.6
[M+HCOO]-	282.113571	175.3
[M+CH3COO]-	296.129221	166.8
[M+Na-2H]-	258.090036	157.9
[M]+	237.11482142	153.4
[M]-	237.11591858	153.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe