CID 5742895

(5e)-5-[hydroxy-(5-methyloxazol-2-yl)methylene]-2-thioxo-thiazolidin-4-one

Structural Information

Molecular Formula
C8H6N2O3S2
SMILES
CC1=CN=C(O1)C(=O)C2=C(NC(=S)S2)O
InChI
InChI=1S/C8H6N2O3S2/c1-3-2-9-7(13-3)4(11)5-6(12)10-8(14)15-5/h2,12H,1H3,(H,10,14)
InChIKey
FDEUPRQHVQNSRG-UHFFFAOYSA-N
Compound name
(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)-(5-methyl-1,3-oxazol-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

241.98198 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.98926 147.8
[M+Na]+ 264.97120 160.8
[M-H]- 240.97470 152.3
[M+NH4]+ 260.01580 165.2
[M+K]+ 280.94514 156.6
[M+H-H2O]+ 224.97924 143.4
[M+HCOO]- 286.98018 160.5
[M+CH3COO]- 300.99583 161.1
[M+Na-2H]- 262.95665 146.0
[M]+ 241.98143 152.6
[M]- 241.98253 152.6
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

patents stripe