CID 3077792

Brn 4256905

Structural Information

Molecular Formula
C9H9N3S3
SMILES
CCCSC1=C2C(=C(SC2=NS1)C#N)N
InChI
InChI=1S/C9H9N3S3/c1-2-3-13-9-6-7(11)5(4-10)14-8(6)12-15-9/h2-3,11H2,1H3
InChIKey
XRXAGCWTYJKTPK-UHFFFAOYSA-N
Compound name
4-amino-3-propylsulfanylthieno[2,3-c][1,2]thiazole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.99586 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.00314 139.5
[M+Na]+ 277.98508 148.8
[M+NH4]+ 273.02968 145.5
[M+K]+ 293.95902 139.0
[M-H]- 253.98858 135.2
[M+Na-2H]- 275.97053 140.6
[M]+ 254.99531 139.9
[M]- 254.99641 139.9
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.