CID 43381825

1154198-16-9

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 158.5
[M+Na]+ 270.15768 160.9
[M-H]- 246.16118 161.2
[M+NH4]+ 265.20228 172.6
[M+K]+ 286.13162 156.9
[M+H-H2O]+ 230.16572 149.9
[M+HCOO]- 292.16666 177.2
[M+CH3COO]- 306.18231 195.0
[M+Na-2H]- 268.14313 162.1
[M]+ 247.16791 150.8
[M]- 247.16901 150.8
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.