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 140.3
[M+Na]+ 224.02866 147.7
[M-H]- 200.03216 142.5
[M+NH4]+ 219.07326 160.1
[M+K]+ 240.00260 143.6
[M+H-H2O]+ 184.03670 133.6
[M+HCOO]- 246.03764 154.8
[M+CH3COO]- 260.05329 185.0
[M+Na-2H]- 222.01411 141.4
[M]+ 201.03889 140.8
[M]- 201.03999 140.8
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.