CID 3051898

Urea, n-(2-phenylethyl)-n'-(3,4,5-trimethoxyphenyl)-

Structural Information

Molecular Formula
C18H22N2O4
SMILES
COC1=CC(=CC(=C1OC)OC)NC(=O)NCCC2=CC=CC=C2
InChI
InChI=1S/C18H22N2O4/c1-22-15-11-14(12-16(23-2)17(15)24-3)20-18(21)19-10-9-13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3,(H2,19,20,21)
InChIKey
DPOMVSIACNKMRH-UHFFFAOYSA-N
Compound name
1-(2-phenylethyl)-3-(3,4,5-trimethoxyphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.15796 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.16524 177.6
[M+Na]+ 353.14718 183.1
[M-H]- 329.15068 184.3
[M+NH4]+ 348.19178 190.9
[M+K]+ 369.12112 180.8
[M+H-H2O]+ 313.15522 168.5
[M+HCOO]- 375.15616 202.7
[M+CH3COO]- 389.17181 214.6
[M+Na-2H]- 351.13263 181.0
[M]+ 330.15741 182.0
[M]- 330.15851 182.0
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.