CID 3008851

1-[(2s)-2-cyclohexylpropyl]-3-(2-pyridyl)thiourea

Structural Information

Molecular Formula
C15H23N3S
SMILES
C[C@H](CNC(=S)NC1=CC=CC=N1)C2CCCCC2
InChI
InChI=1S/C15H23N3S/c1-12(13-7-3-2-4-8-13)11-17-15(19)18-14-9-5-6-10-16-14/h5-6,9-10,12-13H,2-4,7-8,11H2,1H3,(H2,16,17,18,19)/t12-/m1/s1
InChIKey
ADZADELTRRDCSE-GFCCVEGCSA-N
Compound name
1-[(2S)-2-cyclohexylpropyl]-3-pyridin-2-ylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

277.16125 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.16853 164.5
[M+Na]+ 300.15047 166.1
[M-H]- 276.15397 168.0
[M+NH4]+ 295.19507 178.4
[M+K]+ 316.12441 161.7
[M+H-H2O]+ 260.15851 155.8
[M+HCOO]- 322.15945 178.0
[M+CH3COO]- 336.17510 201.7
[M+Na-2H]- 298.13592 165.2
[M]+ 277.16070 158.9
[M]- 277.16180 158.9
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.