CID 3052241

Urea, n-(2,4-dichloro-6-methylphenyl)-n'-(imino(methylamino)methyl)-, monohydrochloride

Structural Information

Molecular Formula
C10H12Cl2N4O
SMILES
CC1=CC(=CC(=C1NC(=O)NC(=NC)N)Cl)Cl
InChI
InChI=1S/C10H12Cl2N4O/c1-5-3-6(11)4-7(12)8(5)15-10(17)16-9(13)14-2/h3-4H,1-2H3,(H4,13,14,15,16,17)
InChIKey
BDPLAYCEJRFZFD-UHFFFAOYSA-N
Compound name
1-(2,4-dichloro-6-methylphenyl)-3-(N'-methylcarbamimidoyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.03882 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.04610 163.2
[M+Na]+ 297.02804 171.4
[M-H]- 273.03154 167.7
[M+NH4]+ 292.07264 180.6
[M+K]+ 313.00198 166.7
[M+H-H2O]+ 257.03608 158.3
[M+HCOO]- 319.03702 181.4
[M+CH3COO]- 333.05267 207.4
[M+Na-2H]- 295.01349 165.0
[M]+ 274.03827 164.3
[M]- 274.03937 164.3
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.