CID 118799

Urea, n,n''-1,2-phenylenebis[n',n'-dimethyl-

Structural Information

Molecular Formula
C12H18N4O2
SMILES
CN(C)C(=O)NC1=CC=CC=C1NC(=O)N(C)C
InChI
InChI=1S/C12H18N4O2/c1-15(2)11(17)13-9-7-5-6-8-10(9)14-12(18)16(3)4/h5-8H,1-4H3,(H,13,17)(H,14,18)
InChIKey
PESXPUCWMKUMSI-UHFFFAOYSA-N
Compound name
3-[2-(dimethylcarbamoylamino)phenyl]-1,1-dimethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

250.14297 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.15025 159.5
[M+Na]+ 273.13219 163.6
[M-H]- 249.13569 165.9
[M+NH4]+ 268.17679 176.7
[M+K]+ 289.10613 164.9
[M+H-H2O]+ 233.14023 151.4
[M+HCOO]- 295.14117 187.0
[M+CH3COO]- 309.15682 210.0
[M+Na-2H]- 271.11764 162.5
[M]+ 250.14242 160.2
[M]- 250.14352 160.2
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