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]+ 235.15534 154.4
[M+Na]+ 257.13728 159.8
[M-H]- 233.14078 159.5
[M+NH4]+ 252.18188 172.0
[M+K]+ 273.11122 157.9
[M+H-H2O]+ 217.14532 146.6
[M+HCOO]- 279.14626 183.1
[M+CH3COO]- 293.16191 204.6
[M+Na-2H]- 255.12273 159.9
[M]+ 234.14751 154.1
[M]- 234.14861 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.