CID 47003299

3-(3-fluorophenyl)-1-(piperidin-3-ylmethyl)urea

Structural Information

Molecular Formula
C13H18FN3O
SMILES
C1CC(CNC1)CNC(=O)NC2=CC(=CC=C2)F
InChI
InChI=1S/C13H18FN3O/c14-11-4-1-5-12(7-11)17-13(18)16-9-10-3-2-6-15-8-10/h1,4-5,7,10,15H,2-3,6,8-9H2,(H2,16,17,18)
InChIKey
NRJBUWGDABYNSR-UHFFFAOYSA-N
Compound name
1-(3-fluorophenyl)-3-(piperidin-3-ylmethyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.14339 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.15067 156.6
[M+Na]+ 274.13261 159.5
[M-H]- 250.13611 158.0
[M+NH4]+ 269.17721 170.4
[M+K]+ 290.10655 155.3
[M+H-H2O]+ 234.14065 147.2
[M+HCOO]- 296.14159 174.6
[M+CH3COO]- 310.15724 194.7
[M+Na-2H]- 272.11806 160.2
[M]+ 251.14284 147.5
[M]- 251.14394 147.5
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.