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]+ 231.149176 153.1
[M+Na]+ 253.131118 159.0
[M-H]- 229.134624 157.3
[M+NH4]+ 248.175723 173.4
[M+K]+ 269.105058 155.5
[M+H-H2O]+ 213.139160 146.4
[M+HCOO]- 275.140101 178.2
[M+CH3COO]- 289.155751 195.4
[M+Na-2H]- 251.116566 158.3
[M]+ 230.14135142 153.2
[M]- 230.14244858 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.