CID 3015142

22978-49-0

Structural Information

Molecular Formula

C₁₅H₁₅NO

SMILES

CC1=CC=CC=C1C(=O)NC2=CC=CC=C2C

InChI

InChI=1S/C15H15NO/c1-11-7-3-5-9-13(11)15(17)16-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H,16,17)

InChIKey

KBOSBZUAAMLSFQ-UHFFFAOYSA-N

Compound name

2-methyl-N-(2-methylphenyl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 16
Patents: 225.11537 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]+	226.12265	152.0
[M+Na]+	248.10459	166.5
[M+NH4]+	243.14919	161.1
[M+K]+	264.07853	158.5
[M-H]-	224.10809	157.5
[M+Na-2H]-	246.09004	161.8
[M]+	225.11482	155.7
[M]-	225.11592	155.7

Literature stripe

literature stripe

Patent stripe

patents stripe