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]+ 202.046716 140.3
[M+Na]+ 224.028658 147.7
[M-H]- 200.032164 142.5
[M+NH4]+ 219.073263 160.1
[M+K]+ 240.002598 143.6
[M+H-H2O]+ 184.036700 133.6
[M+HCOO]- 246.037641 154.8
[M+CH3COO]- 260.053291 185.0
[M+Na-2H]- 222.014106 141.4
[M]+ 201.03889142 140.8
[M]- 201.03998858 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.