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]+ 301.15468 170.2
[M+Na]+ 323.13662 175.4
[M-H]- 299.14012 176.6
[M+NH4]+ 318.18122 184.5
[M+K]+ 339.11056 172.5
[M+H-H2O]+ 283.14466 161.3
[M+HCOO]- 345.14560 195.4
[M+CH3COO]- 359.16125 208.2
[M+Na-2H]- 321.12207 174.8
[M]+ 300.14685 172.4
[M]- 300.14795 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.