CID 3052243

Urea, n-(2,6-dimethyl-4-hydroxyphenyl)-n'-(imino(methylamino)methyl)-, monohydrochloride

Structural Information

Molecular Formula

C₁₁H₁₆N₄O₂

SMILES

CC1=CC(=CC(=C1NC(=O)NC(=NC)N)C)O

InChI

InChI=1S/C11H16N4O2/c1-6-4-8(16)5-7(2)9(6)14-11(17)15-10(12)13-3/h4-5,16H,1-3H3,(H4,12,13,14,15,17)

InChIKey

RXNVFLVENVAHET-UHFFFAOYSA-N

Compound name

1-(4-hydroxy-2,6-dimethylphenyl)-3-(N'-methylcarbamimidoyl)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 236.12732 Da
Monoisotopic Mass: 1.2
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]+	237.134596	154.8
[M+Na]+	259.116538	160.9
[M-H]-	235.120044	158.7
[M+NH4]+	254.161143	171.6
[M+K]+	275.090478	159.3
[M+H-H2O]+	219.124580	147.6
[M+HCOO]-	281.125521	180.8
[M+CH3COO]-	295.141171	202.4
[M+Na-2H]-	257.101986	157.2
[M]+	236.12677142	152.3
[M]-	236.12786858	152.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe