CID 3005539

1-[2-(cyclohexen-1-yl)ethyl]-3-(4-methylthiazol-2-yl)thiourea

Structural Information

Molecular Formula
C13H19N3S2
SMILES
CC1=CSC(=N1)NC(=S)NCCC2=CCCCC2
InChI
InChI=1S/C13H19N3S2/c1-10-9-18-13(15-10)16-12(17)14-8-7-11-5-3-2-4-6-11/h5,9H,2-4,6-8H2,1H3,(H2,14,15,16,17)
InChIKey
SJZIUWLQUWZDQO-UHFFFAOYSA-N
Compound name
1-[2-(cyclohexen-1-yl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

281.10205 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.10933 161.5
[M+Na]+ 304.09127 166.8
[M-H]- 280.09477 165.9
[M+NH4]+ 299.13587 178.1
[M+K]+ 320.06521 161.1
[M+H-H2O]+ 264.09931 154.1
[M+HCOO]- 326.10025 173.3
[M+CH3COO]- 340.11590 200.0
[M+Na-2H]- 302.07672 160.4
[M]+ 281.10150 159.7
[M]- 281.10260 159.7
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.