CID 9575467

(2z)-3-allyl-2-(1,3-benzothiazol-2-ylimino)thiazolidin-4-one

Structural Information

Molecular Formula
C13H11N3OS2
SMILES
C=CCN\1C(=O)CS/C1=N\C2=NC3=CC=CC=C3S2
InChI
InChI=1S/C13H11N3OS2/c1-2-7-16-11(17)8-18-13(16)15-12-14-9-5-3-4-6-10(9)19-12/h2-6H,1,7-8H2/b15-13-
InChIKey
ANCNYDGIIVMHSS-SQFISAMPSA-N
Compound name
(2Z)-2-(1,3-benzothiazol-2-ylimino)-3-prop-2-enyl-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

289.03436 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.04164 163.7
[M+Na]+ 312.02358 175.9
[M-H]- 288.02708 171.2
[M+NH4]+ 307.06818 183.4
[M+K]+ 327.99752 170.1
[M+H-H2O]+ 272.03162 157.8
[M+HCOO]- 334.03256 179.1
[M+CH3COO]- 348.04821 176.6
[M+Na-2H]- 310.00903 163.1
[M]+ 289.03381 168.3
[M]- 289.03491 168.3
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.