CID 209742

Urea, 1-(3-indenyl)-3-(2-methoxyethyl)-

Structural Information

Molecular Formula
C13H16N2O2
SMILES
COCCNC(=O)NC1=CCC2=CC=CC=C21
InChI
InChI=1S/C13H16N2O2/c1-17-9-8-14-13(16)15-12-7-6-10-4-2-3-5-11(10)12/h2-5,7H,6,8-9H2,1H3,(H2,14,15,16)
InChIKey
UZVUFYSGQYOINY-UHFFFAOYSA-N
Compound name
1-(3H-inden-1-yl)-3-(2-methoxyethyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.12119 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.12847 151.2
[M+Na]+ 255.11041 157.4
[M-H]- 231.11391 155.6
[M+NH4]+ 250.15501 171.4
[M+K]+ 271.08435 154.8
[M+H-H2O]+ 215.11845 144.5
[M+HCOO]- 277.11939 176.8
[M+CH3COO]- 291.13504 194.5
[M+Na-2H]- 253.09586 157.0
[M]+ 232.12064 152.4
[M]- 232.12174 152.4
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.