CID 3008853

1-((r)-2-cyclohexyl-propyl)-3-thiazol-2-yl-thiourea

Structural Information

Molecular Formula
C13H21N3S2
SMILES
C[C@@H](CNC(=S)NC1=NC=CS1)C2CCCCC2
InChI
InChI=1S/C13H21N3S2/c1-10(11-5-3-2-4-6-11)9-15-12(17)16-13-14-7-8-18-13/h7-8,10-11H,2-6,9H2,1H3,(H2,14,15,16,17)/t10-/m0/s1
InChIKey
NBVNQHNGFLYJFL-JTQLQIEISA-N
Compound name
1-[(2R)-2-cyclohexylpropyl]-3-(1,3-thiazol-2-yl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

283.11768 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.12496 163.0
[M+Na]+ 306.10690 166.1
[M-H]- 282.11040 166.7
[M+NH4]+ 301.15150 179.0
[M+K]+ 322.08084 161.3
[M+H-H2O]+ 266.11494 155.5
[M+HCOO]- 328.11588 172.4
[M+CH3COO]- 342.13153 200.1
[M+Na-2H]- 304.09235 160.8
[M]+ 283.11713 159.0
[M]- 283.11823 159.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.