CID 698750

24134-81-4

Structural Information

Molecular Formula
C10H10N2O2S3
SMILES
CC(=O)CSC1=C(C(=NS1)SCC(=O)C)C#N
InChI
InChI=1S/C10H10N2O2S3/c1-6(13)4-15-9-8(3-11)10(17-12-9)16-5-7(2)14/h4-5H2,1-2H3
InChIKey
WHNUYUHLQKDZGQ-UHFFFAOYSA-N
Compound name
3,5-bis(2-oxopropylsulfanyl)-1,2-thiazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

285.99045 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.99773 169.3
[M+Na]+ 308.97967 179.8
[M-H]- 284.98317 172.3
[M+NH4]+ 304.02427 184.8
[M+K]+ 324.95361 175.8
[M+H-H2O]+ 268.98771 157.3
[M+HCOO]- 330.98865 172.3
[M+CH3COO]- 345.00430 208.4
[M+Na-2H]- 306.96512 165.3
[M]+ 285.98990 169.1
[M]- 285.99100 169.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.