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

6
Patents

234.14806 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.155336 156.7
[M+Na]+ 257.137278 162.1
[M-H]- 233.140784 162.9
[M+NH4]+ 252.181883 174.7
[M+K]+ 273.111218 161.9
[M+H-H2O]+ 217.145320 148.9
[M+HCOO]- 279.146261 184.2
[M+CH3COO]- 293.161911 207.6
[M+Na-2H]- 255.122726 159.0
[M]+ 234.14751142 155.9
[M]- 234.14860858 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