CID 135599661

Urea, 1-dimethylamidino-3-(2,6-xylyl)-, hydrochloride

Structural Information

Molecular Formula
C12H18N4O
SMILES
CC1=C(C(=CC=C1)C)NC(=O)N/C=N/N(C)C
InChI
InChI=1S/C12H18N4O/c1-9-6-5-7-10(2)11(9)15-12(17)13-8-14-16(3)4/h5-8H,1-4H3,(H2,13,14,15,17)
InChIKey
WJYGXHCHOXPLMV-UHFFFAOYSA-N
Compound name
1-[(E)-(dimethylhydrazinylidene)methyl]-3-(2,6-dimethylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.14806 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.155336 155.3
[M+Na]+ 257.137278 160.9
[M-H]- 233.140784 161.9
[M+NH4]+ 252.181883 173.6
[M+K]+ 273.111218 160.4
[M+H-H2O]+ 217.145320 147.3
[M+HCOO]- 279.146261 184.5
[M+CH3COO]- 293.161911 207.9
[M+Na-2H]- 255.122726 160.0
[M]+ 234.14751142 156.3
[M]- 234.14860858 156.3
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.