CID 9583798

Ccg-52205

Structural Information

Molecular Formula
C13H11N5OS2
SMILES
C=CCN1C2=NC=NC(=C2SC1=S)N/N=C/C3=CC=CO3
InChI
InChI=1S/C13H11N5OS2/c1-2-5-18-12-10(21-13(18)20)11(14-8-15-12)17-16-7-9-4-3-6-19-9/h2-4,6-8H,1,5H2,(H,14,15,17)/b16-7+
InChIKey
YMFYAZJJOPKSPN-FRKPEAEDSA-N
Compound name
7-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-3-prop-2-enyl-[1,3]thiazolo[4,5-d]pyrimidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.0405 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.04778 168.7
[M+Na]+ 340.02972 182.3
[M-H]- 316.03322 176.3
[M+NH4]+ 335.07432 184.6
[M+K]+ 356.00366 176.5
[M+H-H2O]+ 300.03776 162.2
[M+HCOO]- 362.03870 185.9
[M+CH3COO]- 376.05435 181.5
[M+Na-2H]- 338.01517 170.9
[M]+ 317.03995 175.9
[M]- 317.04105 175.9
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.