CID 9575443

(2z,5e)-3-allyl-2-(1,3-benzothiazol-2-ylimino)-5-(2-furylmethylene)thiazolidin-4-one

Structural Information

Molecular Formula
C18H13N3O2S2
SMILES
C=CCN\1C(=O)/C(=C\C2=CC=CO2)/S/C1=N\C3=NC4=CC=CC=C4S3
InChI
InChI=1S/C18H13N3O2S2/c1-2-9-21-16(22)15(11-12-6-5-10-23-12)25-18(21)20-17-19-13-7-3-4-8-14(13)24-17/h2-8,10-11H,1,9H2/b15-11+,20-18-
InChIKey
DCRIODVFQNCIOP-OTUPYVCLSA-N
Compound name
(2Z,5E)-2-(1,3-benzothiazol-2-ylimino)-5-(furan-2-ylmethylidene)-3-prop-2-enyl-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

367.04492 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.05220 186.9
[M+Na]+ 390.03414 199.8
[M-H]- 366.03764 199.1
[M+NH4]+ 385.07874 204.1
[M+K]+ 406.00808 194.6
[M+H-H2O]+ 350.04218 182.3
[M+HCOO]- 412.04312 203.2
[M+CH3COO]- 426.05877 199.4
[M+Na-2H]- 388.01959 183.3
[M]+ 367.04437 193.5
[M]- 367.04547 193.5
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.