CID 2988282

N,n-dimethyl-n'-(3,4,5-trimethoxyphenyl)urea

Structural Information

Molecular Formula
C12H18N2O4
SMILES
CN(C)C(=O)NC1=CC(=C(C(=C1)OC)OC)OC
InChI
InChI=1S/C12H18N2O4/c1-14(2)12(15)13-8-6-9(16-3)11(18-5)10(7-8)17-4/h6-7H,1-5H3,(H,13,15)
InChIKey
KBTUNDIMMHLQSM-UHFFFAOYSA-N
Compound name
1,1-dimethyl-3-(3,4,5-trimethoxyphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

254.12666 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.133936 156.3
[M+Na]+ 277.115878 163.5
[M-H]- 253.119384 161.9
[M+NH4]+ 272.160483 174.0
[M+K]+ 293.089818 164.5
[M+H-H2O]+ 237.123920 149.1
[M+HCOO]- 299.124861 182.5
[M+CH3COO]- 313.140511 204.2
[M+Na-2H]- 275.101326 159.5
[M]+ 254.12611142 162.5
[M]- 254.12720858 162.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.