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 160.4
[M+Na]+ 271.15293 168.9
[M+NH4]+ 266.19753 166.9
[M+K]+ 287.12687 162.7
[M-H]- 247.15643 163.9
[M+Na-2H]- 269.13838 165.7
[M]+ 248.16316 162.1
[M]- 248.16426 162.1
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.