CID 47512

N-(2,6-diethylphenyl)-n'-(imino(methylamino)methyl)urea hydrochloride

Structural Information

Molecular Formula
C13H20N4O
SMILES
CCC1=C(C(=CC=C1)CC)NC(=O)NC(=NC)N
InChI
InChI=1S/C13H20N4O/c1-4-9-7-6-8-10(5-2)11(9)16-13(18)17-12(14)15-3/h6-8H,4-5H2,1-3H3,(H4,14,15,16,17,18)
InChIKey
IFRGRUBTWVGYDT-UHFFFAOYSA-N
Compound name
1-(2,6-diethylphenyl)-3-(N'-methylcarbamimidoyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

26
Patents

248.16371 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.17099 160.6
[M+Na]+ 271.15293 165.4
[M-H]- 247.15643 165.1
[M+NH4]+ 266.19753 177.4
[M+K]+ 287.12687 163.6
[M+H-H2O]+ 231.16097 152.7
[M+HCOO]- 293.16191 187.3
[M+CH3COO]- 307.17756 207.3
[M+Na-2H]- 269.13838 163.2
[M]+ 248.16316 158.9
[M]- 248.16426 158.9
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