CID 3049597

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

Structural Information

Molecular Formula
C12H18N4O
SMILES
CCC1=CC=CC(=C1NC(=O)NC(=NC)N)C
InChI
InChI=1S/C12H18N4O/c1-4-9-7-5-6-8(2)10(9)15-12(17)16-11(13)14-3/h5-7H,4H2,1-3H3,(H4,13,14,15,16,17)
InChIKey
ILPSOXAJFXAENL-UHFFFAOYSA-N
Compound name
1-(2-ethyl-6-methylphenyl)-3-(N'-methylcarbamimidoyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

234.14806 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.15534 156.6
[M+Na]+ 257.13728 164.7
[M+NH4]+ 252.18188 163.0
[M+K]+ 273.11122 159.8
[M-H]- 233.14078 159.8
[M+Na-2H]- 255.12273 161.3
[M]+ 234.14751 158.1
[M]- 234.14861 158.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe