CID 135599669

Urea, 1-ethylamidino-3-(2-ethyl-6-methylphenyl)-, hydrochloride

Structural Information

Molecular Formula
C13H20N4O
SMILES
CCC1=CC=CC(=C1NC(=O)N/C=N/NCC)C
InChI
InChI=1S/C13H20N4O/c1-4-11-8-6-7-10(3)12(11)17-13(18)14-9-16-15-5-2/h6-9,15H,4-5H2,1-3H3,(H2,14,16,17,18)
InChIKey
FBXAJUHDVKLGSI-UHFFFAOYSA-N
Compound name
1-[(E)-(ethylhydrazinylidene)methyl]-3-(2-ethyl-6-methylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.16371 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.17099 158.9
[M+Na]+ 271.15293 163.8
[M-H]- 247.15643 163.7
[M+NH4]+ 266.19753 175.9
[M+K]+ 287.12687 161.7
[M+H-H2O]+ 231.16097 150.8
[M+HCOO]- 293.16191 187.2
[M+CH3COO]- 307.17756 207.6
[M+Na-2H]- 269.13838 163.8
[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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.