CID 209746

Brn 2395819

Structural Information

Molecular Formula
C19H20N2O3
SMILES
COC1=C(C=C(C=C1)CNC(=O)NC2=CCC3=CC=CC=C32)OC
InChI
InChI=1S/C19H20N2O3/c1-23-17-10-7-13(11-18(17)24-2)12-20-19(22)21-16-9-8-14-5-3-4-6-15(14)16/h3-7,9-11H,8,12H2,1-2H3,(H2,20,21,22)
InChIKey
PXBVNGXPWQZLIN-UHFFFAOYSA-N
Compound name
1-[(3,4-dimethoxyphenyl)methyl]-3-(3H-inden-1-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.1474 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.154676 175.0
[M+Na]+ 347.136618 181.4
[M-H]- 323.140124 182.9
[M+NH4]+ 342.181223 191.4
[M+K]+ 363.110558 177.7
[M+H-H2O]+ 307.144660 166.9
[M+HCOO]- 369.145601 200.1
[M+CH3COO]- 383.161251 212.9
[M+Na-2H]- 345.122066 178.8
[M]+ 324.14685142 178.0
[M]- 324.14794858 178.0
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.