CID 1445164

1-phenyl-3-piperidin-4-ylurea

Structural Information

Molecular Formula
C12H17N3O
SMILES
C1CNCCC1NC(=O)NC2=CC=CC=C2
InChI
InChI=1S/C12H17N3O/c16-12(14-10-4-2-1-3-5-10)15-11-6-8-13-9-7-11/h1-5,11,13H,6-9H2,(H2,14,15,16)
InChIKey
SKBLRKMDOMTQQV-UHFFFAOYSA-N
Compound name
1-phenyl-3-piperidin-4-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

219.13716 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.14444 151.4
[M+Na]+ 242.12638 160.8
[M+NH4]+ 237.17098 158.9
[M+K]+ 258.10032 154.7
[M-H]- 218.12988 155.0
[M+Na-2H]- 240.11183 158.2
[M]+ 219.13661 153.3
[M]- 219.13771 153.3
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

patents stripe