CID 3050651

Urea, n-(3,5-dimethylphenyl)-n'-(imino(methylamino)methyl)-, monohydrochloride

Structural Information

Molecular Formula
C11H16N4O
SMILES
CC1=CC(=CC(=C1)NC(=O)NC(=NC)N)C
InChI
InChI=1S/C11H16N4O/c1-7-4-8(2)6-9(5-7)14-11(16)15-10(12)13-3/h4-6H,1-3H3,(H4,12,13,14,15,16)
InChIKey
CFXQTFVBNVLBGC-UHFFFAOYSA-N
Compound name
1-(3,5-dimethylphenyl)-3-(N'-methylcarbamimidoyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.13242 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.13970 151.6
[M+Na]+ 243.12164 157.3
[M-H]- 219.12514 156.5
[M+NH4]+ 238.16624 169.5
[M+K]+ 259.09558 155.9
[M+H-H2O]+ 203.12968 144.1
[M+HCOO]- 265.13062 179.0
[M+CH3COO]- 279.14627 201.2
[M+Na-2H]- 241.10709 155.2
[M]+ 220.13187 149.2
[M]- 220.13297 149.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.