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]+ 233.128466 151.2
[M+Na]+ 255.110408 157.4
[M-H]- 231.113914 155.6
[M+NH4]+ 250.155013 171.4
[M+K]+ 271.084348 154.8
[M+H-H2O]+ 215.118450 144.5
[M+HCOO]- 277.119391 176.8
[M+CH3COO]- 291.135041 194.5
[M+Na-2H]- 253.095856 157.0
[M]+ 232.12064142 152.4
[M]- 232.12173858 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.