CID 3077789

Brn 4258350

Structural Information

Molecular Formula
C9H11N3OS3
SMILES
CCCSC1=NSC(=C1C#N)SCC(=O)N
InChI
InChI=1S/C9H11N3OS3/c1-2-3-14-8-6(4-10)9(16-12-8)15-5-7(11)13/h2-3,5H2,1H3,(H2,11,13)
InChIKey
VAZAYGPVOHMYOB-UHFFFAOYSA-N
Compound name
2-[(4-cyano-3-propylsulfanyl-1,2-thiazol-5-yl)sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.00644 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.01372 164.4
[M+Na]+ 295.99566 174.6
[M-H]- 271.99916 166.6
[M+NH4]+ 291.04026 179.8
[M+K]+ 311.96960 170.0
[M+H-H2O]+ 256.00370 152.0
[M+HCOO]- 318.00464 168.2
[M+CH3COO]- 332.02029 207.8
[M+Na-2H]- 293.98111 161.3
[M]+ 273.00589 162.0
[M]- 273.00699 162.0
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.