CID 786951

67616-08-4

Structural Information

Molecular Formula
C17H20N2O3
SMILES
COC1=C(C=C(C=C1)CCNC(=O)NC2=CC=CC=C2)OC
InChI
InChI=1S/C17H20N2O3/c1-21-15-9-8-13(12-16(15)22-2)10-11-18-17(20)19-14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3,(H2,18,19,20)
InChIKey
YBVMNZMKNSBVJN-UHFFFAOYSA-N
Compound name
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.1474 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.154676 170.2
[M+Na]+ 323.136618 175.4
[M-H]- 299.140124 176.6
[M+NH4]+ 318.181223 184.5
[M+K]+ 339.110558 172.5
[M+H-H2O]+ 283.144660 161.3
[M+HCOO]- 345.145601 195.4
[M+CH3COO]- 359.161251 208.2
[M+Na-2H]- 321.122066 174.8
[M]+ 300.14685142 172.4
[M]- 300.14794858 172.4
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.