CID 209749

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

Structural Information

Molecular Formula
C14H18N2O
SMILES
CCCCNC(=O)NC1=CCC2=CC=CC=C21
InChI
InChI=1S/C14H18N2O/c1-2-3-10-15-14(17)16-13-9-8-11-6-4-5-7-12(11)13/h4-7,9H,2-3,8,10H2,1H3,(H2,15,16,17)
InChIKey
CZWQNTMPZUKKHK-UHFFFAOYSA-N
Compound name
1-butyl-3-(3H-inden-1-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.1419 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.14918 154.3
[M+Na]+ 253.13112 164.2
[M+NH4]+ 248.17572 162.7
[M+K]+ 269.10506 158.9
[M-H]- 229.13462 157.3
[M+Na-2H]- 251.11657 159.5
[M]+ 230.14135 156.3
[M]- 230.14245 156.3
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.