CID 43381825

3-(4-methylphenyl)-1-(piperidin-3-ylmethyl)urea

Structural Information

Molecular Formula
C14H21N3O
SMILES
CC1=CC=C(C=C1)NC(=O)NCC2CCCNC2
InChI
InChI=1S/C14H21N3O/c1-11-4-6-13(7-5-11)17-14(18)16-10-12-3-2-8-15-9-12/h4-7,12,15H,2-3,8-10H2,1H3,(H2,16,17,18)
InChIKey
VXBTULRBWHCYSC-UHFFFAOYSA-N
Compound name
1-(4-methylphenyl)-3-(piperidin-3-ylmethyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.16846 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.17574 160.1
[M+Na]+ 270.15768 169.5
[M+NH4]+ 265.20228 167.3
[M+K]+ 286.13162 163.1
[M-H]- 246.16118 163.7
[M+Na-2H]- 268.14313 166.2
[M]+ 247.16791 162.0
[M]- 247.16901 162.0
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.