CID 32764511

1094459-97-8

Structural Information

Molecular Formula
C10H8N4OS3
SMILES
C1=COC(=C1)C2=NC(=CS2)CSC3=NN=C(S3)N
InChI
InChI=1S/C10H8N4OS3/c11-9-13-14-10(18-9)17-5-6-4-16-8(12-6)7-2-1-3-15-7/h1-4H,5H2,(H2,11,13)
InChIKey
YAHHSDLJFMNDTC-UHFFFAOYSA-N
Compound name
5-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.98602 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.99330 157.5
[M+Na]+ 318.97524 172.6
[M-H]- 294.97874 166.3
[M+NH4]+ 314.01984 174.8
[M+K]+ 334.94918 168.0
[M+H-H2O]+ 278.98328 153.6
[M+HCOO]- 340.98422 169.9
[M+CH3COO]- 354.99987 171.0
[M+Na-2H]- 316.96069 155.3
[M]+ 295.98547 163.2
[M]- 295.98657 163.2
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.