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 162.6
[M+Na]+ 277.98508 177.4
[M-H]- 253.98858 166.7
[M+NH4]+ 273.02968 182.2
[M+K]+ 293.95902 171.8
[M+H-H2O]+ 237.99312 152.0
[M+HCOO]- 299.99406 169.5
[M+CH3COO]- 314.00971 173.8
[M+Na-2H]- 275.97053 161.2
[M]+ 254.99531 162.6
[M]- 254.99641 162.6
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.