CID 47002286

[(1-benzylpiperidin-2-yl)methyl]urea

Structural Information

Molecular Formula
C14H21N3O
SMILES
C1CCN(C(C1)CNC(=O)N)CC2=CC=CC=C2
InChI
InChI=1S/C14H21N3O/c15-14(18)16-10-13-8-4-5-9-17(13)11-12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11H2,(H3,15,16,18)
InChIKey
YSRDPYAWPHYLON-UHFFFAOYSA-N
Compound name
(1-benzylpiperidin-2-yl)methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.16846 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.17574 158.5
[M+Na]+ 270.15768 161.2
[M-H]- 246.16118 162.0
[M+NH4]+ 265.20228 172.9
[M+K]+ 286.13162 157.8
[M+H-H2O]+ 230.16572 149.6
[M+HCOO]- 292.16666 178.1
[M+CH3COO]- 306.18231 197.5
[M+Na-2H]- 268.14313 161.5
[M]+ 247.16791 151.8
[M]- 247.16901 151.8
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.