CID 373690

Nsc650582

Structural Information

Molecular Formula
C8H9N3S3
SMILES
C=CCN1C2=C(C(N=CN2)S)SC1=S
InChI
InChI=1S/C8H9N3S3/c1-2-3-11-6-5(14-8(11)13)7(12)10-4-9-6/h2,4,7,12H,1,3H2,(H,9,10)
InChIKey
IVARXRNWUSMIOK-UHFFFAOYSA-N
Compound name
3-prop-2-enyl-7-sulfanyl-4,7-dihydro-[1,3]thiazolo[4,5-d]pyrimidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.99586 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.00314 144.8
[M+Na]+ 265.98508 157.1
[M-H]- 241.98858 144.1
[M+NH4]+ 261.02968 162.1
[M+K]+ 281.95902 149.1
[M+H-H2O]+ 225.99312 140.4
[M+HCOO]- 287.99406 147.9
[M+CH3COO]- 302.00971 155.9
[M+Na-2H]- 263.97053 143.8
[M]+ 242.99531 145.2
[M]- 242.99641 145.2
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.