CID 3050623

Urea, (bis(methylamino)methylene)(2,6-dimethylphenyl)-, monohydrochloride

Structural Information

Molecular Formula

C₁₂H₁₈N₄O

SMILES

CC1=C(C(=CC=C1)C)NC(=O)NC(=NC)NC

InChI

InChI=1S/C12H18N4O/c1-8-6-5-7-9(2)10(8)15-12(17)16-11(13-3)14-4/h5-7H,1-4H3,(H3,13,14,15,16,17)

InChIKey

YGRRSRZGWSGDAQ-UHFFFAOYSA-N

Compound name

1-(N,N'-dimethylcarbamimidoyl)-3-(2,6-dimethylphenyl)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 234.14806 Da
Monoisotopic Mass: 2.0
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]+	235.155336	156.1
[M+Na]+	257.137278	161.4
[M-H]-	233.140784	161.4
[M+NH4]+	252.181883	173.8
[M+K]+	273.111218	160.1
[M+H-H2O]+	217.145320	148.5
[M+HCOO]-	279.146261	183.8
[M+CH3COO]-	293.161911	204.1
[M+Na-2H]-	255.122726	160.2
[M]+	234.14751142	155.0
[M]-	234.14860858	155.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe