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 149.0
[M+Na]+ 242.12638 151.7
[M-H]- 218.12988 153.0
[M+NH4]+ 237.17098 164.6
[M+K]+ 258.10032 149.1
[M+H-H2O]+ 202.13442 140.3
[M+HCOO]- 264.13536 169.9
[M+CH3COO]- 278.15101 190.2
[M+Na-2H]- 240.11183 154.9
[M]+ 219.13661 142.1
[M]- 219.13771 142.1
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.