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]+ 247.14411 155.8
[M+Na]+ 269.12605 161.5
[M-H]- 245.12955 160.0
[M+NH4]+ 264.17065 175.4
[M+K]+ 285.09999 158.7
[M+H-H2O]+ 229.13409 148.9
[M+HCOO]- 291.13503 181.1
[M+CH3COO]- 305.15068 197.5
[M+Na-2H]- 267.11150 161.1
[M]+ 246.13628 157.3
[M]- 246.13738 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.