CID 135599663

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

Structural Information

Molecular Formula
C13H20N4O
SMILES
CCC1=CC=CC(=C1NC(=O)N/C=N/N(C)C)C
InChI
InChI=1S/C13H20N4O/c1-5-11-8-6-7-10(2)12(11)16-13(18)14-9-15-17(3)4/h6-9H,5H2,1-4H3,(H2,14,15,16,18)
InChIKey
IWLGQKROLCHEPM-UHFFFAOYSA-N
Compound name
1-[(E)-(dimethylhydrazinylidene)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

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.17099 159.9
[M+Na]+ 271.15293 165.0
[M-H]- 247.15643 166.3
[M+NH4]+ 266.19753 177.6
[M+K]+ 287.12687 164.3
[M+H-H2O]+ 231.16097 151.7
[M+HCOO]- 293.16191 188.7
[M+CH3COO]- 307.17756 210.9
[M+Na-2H]- 269.13838 164.0
[M]+ 248.16316 161.2
[M]- 248.16426 161.2
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.