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 153.1
[M+Na]+ 253.13112 159.0
[M-H]- 229.13462 157.3
[M+NH4]+ 248.17572 173.4
[M+K]+ 269.10506 155.5
[M+H-H2O]+ 213.13916 146.4
[M+HCOO]- 275.14010 178.2
[M+CH3COO]- 289.15575 195.4
[M+Na-2H]- 251.11657 158.3
[M]+ 230.14135 153.2
[M]- 230.14245 153.2
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.