CID 135599685

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

Structural Information

Molecular Formula
C11H15ClN4O
SMILES
CCN/N=C/NC(=O)NC1=C(C=CC=C1Cl)C
InChI
InChI=1S/C11H15ClN4O/c1-3-14-15-7-13-11(17)16-10-8(2)5-4-6-9(10)12/h4-7,14H,3H2,1-2H3,(H2,13,15,16,17)
InChIKey
VKJRZADMDATJRN-UHFFFAOYSA-N
Compound name
1-(2-chloro-6-methylphenyl)-3-[(E)-(ethylhydrazinylidene)methyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.09344 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.10072 158.4
[M+Na]+ 277.08266 165.1
[M-H]- 253.08616 163.4
[M+NH4]+ 272.12726 176.1
[M+K]+ 293.05660 161.3
[M+H-H2O]+ 237.09070 151.8
[M+HCOO]- 299.09164 182.9
[M+CH3COO]- 313.10729 205.2
[M+Na-2H]- 275.06811 163.8
[M]+ 254.09289 159.9
[M]- 254.09399 159.9
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.