CID 721803

36251-85-1

Structural Information

Molecular Formula
C12H17N3S
SMILES
C1CCC(CC1)NC(=S)NC2=CC=CC=N2
InChI
InChI=1S/C12H17N3S/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
NJYHEQAVKAHKLU-UHFFFAOYSA-N
Compound name
1-cyclohexyl-3-pyridin-2-ylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

235.11432 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.12160 151.1
[M+Na]+ 258.10354 154.4
[M-H]- 234.10704 155.1
[M+NH4]+ 253.14814 166.9
[M+K]+ 274.07748 150.1
[M+H-H2O]+ 218.11158 142.9
[M+HCOO]- 280.11252 166.7
[M+CH3COO]- 294.12817 191.9
[M+Na-2H]- 256.08899 154.4
[M]+ 235.11377 145.1
[M]- 235.11487 145.1
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

patents stripe