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]+ 325.15468 177.4
[M+Na]+ 347.13662 189.0
[M+NH4]+ 342.18122 185.0
[M+K]+ 363.11056 183.5
[M-H]- 323.14012 182.2
[M+Na-2H]- 345.12207 184.1
[M]+ 324.14685 180.2
[M]- 324.14795 180.2
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.