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

64
Patents

250.14297 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.150246 159.5
[M+Na]+ 273.132188 163.6
[M-H]- 249.135694 165.9
[M+NH4]+ 268.176793 176.7
[M+K]+ 289.106128 164.9
[M+H-H2O]+ 233.140230 151.4
[M+HCOO]- 295.141171 187.0
[M+CH3COO]- 309.156821 210.0
[M+Na-2H]- 271.117636 162.5
[M]+ 250.14242142 160.2
[M]- 250.14351858 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