CID 135599691

Urea, 1-(2,6-dichlorophenyl)-3-ethylamidino-, hydrochloride

Structural Information

Molecular Formula
C10H12Cl2N4O
SMILES
CCN/N=C/NC(=O)NC1=C(C=CC=C1Cl)Cl
InChI
InChI=1S/C10H12Cl2N4O/c1-2-14-15-6-13-10(17)16-9-7(11)4-3-5-8(9)12/h3-6,14H,2H2,1H3,(H2,13,15,16,17)
InChIKey
QXAQLBCLPAVMQS-UHFFFAOYSA-N
Compound name
1-(2,6-dichlorophenyl)-3-[(E)-(ethylhydrazinylidene)methyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.03882 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.04610 161.7
[M+Na]+ 297.02804 169.0
[M-H]- 273.03154 166.0
[M+NH4]+ 292.07264 178.9
[M+K]+ 313.00198 164.0
[M+H-H2O]+ 257.03608 156.1
[M+HCOO]- 319.03702 181.3
[M+CH3COO]- 333.05267 206.5
[M+Na-2H]- 295.01349 166.5
[M]+ 274.03827 163.9
[M]- 274.03937 163.9
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.