CID 3049559

65009-22-5

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

234.14806 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.15534 156.8
[M+Na]+ 257.13728 165.2
[M+NH4]+ 252.18188 163.5
[M+K]+ 273.11122 160.7
[M-H]- 233.14078 160.3
[M+Na-2H]- 255.12273 161.8
[M]+ 234.14751 158.5
[M]- 234.14861 158.5
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