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 156.7
[M+Na]+ 257.13728 162.1
[M-H]- 233.14078 162.9
[M+NH4]+ 252.18188 174.7
[M+K]+ 273.11122 161.9
[M+H-H2O]+ 217.14532 148.9
[M+HCOO]- 279.14626 184.2
[M+CH3COO]- 293.16191 207.6
[M+Na-2H]- 255.12273 159.0
[M]+ 234.14751 155.9
[M]- 234.14861 155.9
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