CID 99760

N-cyclohexyl-n'-2-pyridinylurea

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]+ 220.144436 149.0
[M+Na]+ 242.126378 151.7
[M-H]- 218.129884 153.0
[M+NH4]+ 237.170983 164.6
[M+K]+ 258.100318 149.1
[M+H-H2O]+ 202.134420 140.3
[M+HCOO]- 264.135361 169.9
[M+CH3COO]- 278.151011 190.2
[M+Na-2H]- 240.111826 154.9
[M]+ 219.13661142 142.1
[M]- 219.13770858 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.