CID 121599140

3-methyl-1-[2-(1,3-thiazol-4-yl)ethyl]thiourea

Structural Information

Molecular Formula
C7H11N3S2
SMILES
CNC(=S)NCCC1=CSC=N1
InChI
InChI=1S/C7H11N3S2/c1-8-7(11)9-3-2-6-4-12-5-10-6/h4-5H,2-3H2,1H3,(H2,8,9,11)
InChIKey
DTJKZBMLOCMBMX-UHFFFAOYSA-N
Compound name
1-methyl-3-[2-(1,3-thiazol-4-yl)ethyl]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.03944 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.04672 141.5
[M+Na]+ 224.02866 149.3
[M+NH4]+ 219.07326 149.8
[M+K]+ 240.00260 141.9
[M-H]- 200.03216 143.4
[M+Na-2H]- 222.01411 145.3
[M]+ 201.03889 143.7
[M]- 201.03999 143.7
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.