CID 3055436

Brn 4253622

Structural Information

Molecular Formula
C7H5N3S3
SMILES
CSC1=NSC2=C1C(=C(S2)C#N)N
InChI
InChI=1S/C7H5N3S3/c1-11-6-4-5(9)3(2-8)12-7(4)13-10-6/h9H2,1H3
InChIKey
PIVWDEOVOGFPAN-UHFFFAOYSA-N
Compound name
4-amino-3-methylsulfanylthieno[3,2-d][1,2]thiazole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.96455 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.97183 155.8
[M+Na]+ 249.95377 171.5
[M-H]- 225.95727 160.3
[M+NH4]+ 244.99837 176.4
[M+K]+ 265.92771 166.2
[M+H-H2O]+ 209.96181 145.6
[M+HCOO]- 271.96275 163.2
[M+CH3COO]- 285.97840 167.7
[M+Na-2H]- 247.93922 155.0
[M]+ 226.96400 155.3
[M]- 226.96510 155.3
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.