CID 209744

Urea, 1-(3-indenyl)-3-(3-methoxypropyl)-

Structural Information

Molecular Formula
C14H18N2O2
SMILES
COCCCNC(=O)NC1=CCC2=CC=CC=C21
InChI
InChI=1S/C14H18N2O2/c1-18-10-4-9-15-14(17)16-13-8-7-11-5-2-3-6-12(11)13/h2-3,5-6,8H,4,7,9-10H2,1H3,(H2,15,16,17)
InChIKey
MLIKFTQSVZGCSD-UHFFFAOYSA-N
Compound name
1-(3H-inden-1-yl)-3-(3-methoxypropyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.13683 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.144106 155.8
[M+Na]+ 269.126048 161.5
[M-H]- 245.129554 160.0
[M+NH4]+ 264.170653 175.4
[M+K]+ 285.099988 158.7
[M+H-H2O]+ 229.134090 148.9
[M+HCOO]- 291.135031 181.1
[M+CH3COO]- 305.150681 197.5
[M+Na-2H]- 267.111496 161.1
[M]+ 246.13628142 157.3
[M]- 246.13737858 157.3
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.