CID 135599671

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

Structural Information

Molecular Formula
C12H18N4O
SMILES
CCN/N=C/NC(=O)NC1=C(C=CC=C1C)C
InChI
InChI=1S/C12H18N4O/c1-4-14-15-8-13-12(17)16-11-9(2)6-5-7-10(11)3/h5-8,14H,4H2,1-3H3,(H2,13,15,16,17)
InChIKey
JZNKFBPPHGRBIZ-UHFFFAOYSA-N
Compound name
1-(2,6-dimethylphenyl)-3-[(E)-(ethylhydrazinylidene)methyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.14806 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.155336 154.4
[M+Na]+ 257.137278 159.8
[M-H]- 233.140784 159.5
[M+NH4]+ 252.181883 172.0
[M+K]+ 273.111218 157.9
[M+H-H2O]+ 217.145320 146.6
[M+HCOO]- 279.146261 183.1
[M+CH3COO]- 293.161911 204.6
[M+Na-2H]- 255.122726 159.9
[M]+ 234.14751142 154.1
[M]- 234.14860858 154.1
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.