CID 99760

1-cyclohexyl-3-pyridin-2-ylurea

Structural Information

Molecular Formula
C12H17N3O
SMILES
C1CCC(CC1)NC(=O)NC2=CC=CC=N2
InChI
InChI=1S/C12H17N3O/c16-12(14-10-6-2-1-3-7-10)15-11-8-4-5-9-13-11/h4-5,8-10H,1-3,6-7H2,(H2,13,14,15,16)
InChIKey
OXPBPFDDWFFDNE-UHFFFAOYSA-N
Compound name
1-cyclohexyl-3-pyridin-2-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

0
Patents

219.13716 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.14444 151.2
[M+Na]+ 242.12638 161.2
[M+NH4]+ 237.17098 159.1
[M+K]+ 258.10032 154.8
[M-H]- 218.12988 155.4
[M+Na-2H]- 240.11183 158.6
[M]+ 219.13661 153.4
[M]- 219.13771 153.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.