CID 9817693

1-(2-dimethylaminoethyl)-1-(3,4,5-trimethoxyphenyl)urea

Structural Information

Molecular Formula
C14H23N3O4
SMILES
CN(C)CCN(C1=CC(=C(C(=C1)OC)OC)OC)C(=O)N
InChI
InChI=1S/C14H23N3O4/c1-16(2)6-7-17(14(15)18)10-8-11(19-3)13(21-5)12(9-10)20-4/h8-9H,6-7H2,1-5H3,(H2,15,18)
InChIKey
RHXUHAVACBNNSU-UHFFFAOYSA-N
Compound name
1-[2-(dimethylamino)ethyl]-1-(3,4,5-trimethoxyphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

8
Patents

297.16885 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.176126 170.1
[M+Na]+ 320.158068 175.5
[M-H]- 296.161574 176.1
[M+NH4]+ 315.202673 185.8
[M+K]+ 336.132008 177.2
[M+H-H2O]+ 280.166110 161.8
[M+HCOO]- 342.167051 196.4
[M+CH3COO]- 356.182701 218.9
[M+Na-2H]- 318.143516 170.7
[M]+ 297.16830142 176.4
[M]- 297.16939858 176.4
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

No patent data available for this compound.