CID 3049256

64633-42-7

Structural Information

Molecular Formula

C₁₅H₁₆N₂O

SMILES

CC1=CC=CC=C1N(C2=CC=CC=C2C)C(=O)N

InChI

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

InChIKey

UUDHOBLDAUSWQZ-UHFFFAOYSA-N

Compound name

1,1-bis(2-methylphenyl)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 57
Patents: 240.12627 Da
Monoisotopic Mass: 3.0
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]+	241.13355	156.2
[M+Na]+	263.11549	169.3
[M+NH4]+	258.16009	164.8
[M+K]+	279.08943	162.5
[M-H]-	239.11899	162.1
[M+Na-2H]-	261.10094	165.5
[M]+	240.12572	159.7
[M]-	240.12682	159.7

Literature stripe

literature stripe

Patent stripe

patents stripe