CID 1445164

1-phenyl-3-(piperidin-4-yl)urea

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

65
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 149.0
[M+Na]+ 242.12638 151.3
[M-H]- 218.12988 151.7
[M+NH4]+ 237.17098 163.9
[M+K]+ 258.10032 147.8
[M+H-H2O]+ 202.13442 140.6
[M+HCOO]- 264.13536 168.5
[M+CH3COO]- 278.15101 187.8
[M+Na-2H]- 240.11183 154.5
[M]+ 219.13661 140.3
[M]- 219.13771 140.3
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