CID 69232

617-07-2

Structural Information

Molecular Formula

C₁₅H₁₆N₂O

SMILES

CC1=CC=CC=C1NC(=O)NC2=CC=CC=C2C

InChI

InChI=1S/C15H16N2O/c1-11-7-3-5-9-13(11)16-15(18)17-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H2,16,17,18)

InChIKey

WVYBLYKUAKXDLA-UHFFFAOYSA-N

Compound name

1,3-bis(2-methylphenyl)urea

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 185
Patents: 240.12627 Da
Monoisotopic Mass: 2.6
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]+	241.133546	155.0
[M+Na]+	263.115488	161.5
[M-H]-	239.118994	162.0
[M+NH4]+	258.160093	172.1
[M+K]+	279.089428	157.8
[M+H-H2O]+	223.123530	147.3
[M+HCOO]-	285.124471	180.6
[M+CH3COO]-	299.140121	197.9
[M+Na-2H]-	261.100936	160.7
[M]+	240.12572142	153.8
[M]-	240.12681858	153.8

Literature stripe

literature stripe

Patent stripe

patents stripe