CID 3049565

Urea, 1-mesityl-3-methylamidino-, hydrochloride

Structural Information

Molecular Formula
C12H18N4O
SMILES
CC1=CC(=C(C(=C1)C)NC(=O)NC(=NC)N)C
InChI
InChI=1S/C12H18N4O/c1-7-5-8(2)10(9(3)6-7)15-12(17)16-11(13)14-4/h5-6H,1-4H3,(H4,13,14,15,16,17)
InChIKey
VHFAGVLOYDGNDR-UHFFFAOYSA-N
Compound name
1-(N'-methylcarbamimidoyl)-3-(2,4,6-trimethylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

234.14806 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.15534 156.4
[M+Na]+ 257.13728 162.6
[M-H]- 233.14078 161.6
[M+NH4]+ 252.18188 174.1
[M+K]+ 273.11122 161.1
[M+H-H2O]+ 217.14532 149.1
[M+HCOO]- 279.14626 183.4
[M+CH3COO]- 293.16191 205.5
[M+Na-2H]- 255.12273 158.8
[M]+ 234.14751 154.8
[M]- 234.14861 154.8
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

patents stripe