CID 3052265

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

Structural Information

Molecular Formula
C9H10Cl2N4O
SMILES
CN=C(N)NC(=O)NC1=C(C=CC=C1Cl)Cl
InChI
InChI=1S/C9H10Cl2N4O/c1-13-8(12)15-9(16)14-7-5(10)3-2-4-6(7)11/h2-4H,1H3,(H4,12,13,14,15,16)
InChIKey
RAGCDENWWSYSIZ-UHFFFAOYSA-N
Compound name
1-(2,6-dichlorophenyl)-3-(N'-methylcarbamimidoyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

260.02316 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.03044 158.2
[M+Na]+ 283.01238 165.8
[M-H]- 259.01588 162.4
[M+NH4]+ 278.05698 175.7
[M+K]+ 298.98632 161.3
[M+H-H2O]+ 243.02042 153.1
[M+HCOO]- 305.02136 176.6
[M+CH3COO]- 319.03701 203.2
[M+Na-2H]- 280.99783 161.3
[M]+ 260.02261 158.5
[M]- 260.02371 158.5
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.