CID 3049595

Urea, n-(2-chloro-6-methylphenyl)-n'-(imino(methylamino)methyl)-, monohydrochloride

Structural Information

Molecular Formula
C10H13ClN4O
SMILES
CC1=C(C(=CC=C1)Cl)NC(=O)NC(=NC)N
InChI
InChI=1S/C10H13ClN4O/c1-6-4-3-5-7(11)8(6)14-10(16)15-9(12)13-2/h3-5H,1-2H3,(H4,12,13,14,15,16)
InChIKey
MUEGHHAWVCUQSL-UHFFFAOYSA-N
Compound name
1-(2-chloro-6-methylphenyl)-3-(N'-methylcarbamimidoyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

240.07779 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.08507 155.3
[M+Na]+ 263.06701 162.2
[M-H]- 239.07051 160.1
[M+NH4]+ 258.11161 173.3
[M+K]+ 279.04095 159.0
[M+H-H2O]+ 223.07505 149.1
[M+HCOO]- 285.07599 178.5
[M+CH3COO]- 299.09164 201.9
[M+Na-2H]- 261.05246 158.8
[M]+ 240.07724 154.7
[M]- 240.07834 154.7
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

patents stripe