CID 3050655

Urea, n-(2,3-dimethylphenyl)-n'-(imino(methylamino)methyl)-, monohydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.13242 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.139696 151.6
[M+Na]+ 243.121638 157.3
[M-H]- 219.125144 156.5
[M+NH4]+ 238.166243 169.5
[M+K]+ 259.095578 155.9
[M+H-H2O]+ 203.129680 144.1
[M+HCOO]- 265.130621 179.0
[M+CH3COO]- 279.146271 201.2
[M+Na-2H]- 241.107086 155.2
[M]+ 220.13187142 149.2
[M]- 220.13296858 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.