CID 3001256

1-(2-cyclohexylethyl)-3-thiazol-2-yl-thiourea

Structural Information

Molecular Formula
C12H19N3S2
SMILES
C1CCC(CC1)CCNC(=S)NC2=NC=CS2
InChI
InChI=1S/C12H19N3S2/c16-11(15-12-14-8-9-17-12)13-7-6-10-4-2-1-3-5-10/h8-10H,1-7H2,(H2,13,14,15,16)
InChIKey
NITKUECMDZDQKC-UHFFFAOYSA-N
Compound name
1-(2-cyclohexylethyl)-3-(1,3-thiazol-2-yl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

269.10205 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.10933 158.0
[M+Na]+ 292.09127 161.9
[M-H]- 268.09477 161.8
[M+NH4]+ 287.13587 174.7
[M+K]+ 308.06521 156.8
[M+H-H2O]+ 252.09931 150.6
[M+HCOO]- 314.10025 168.8
[M+CH3COO]- 328.11590 196.4
[M+Na-2H]- 290.07672 157.2
[M]+ 269.10150 154.2
[M]- 269.10260 154.2
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.