CID 9575444

(2z,5e)-3-allyl-2-(1,3-benzothiazol-2-ylimino)-5-[(5-methyl-2-furyl)methylene]thiazolidin-4-one

Structural Information

Molecular Formula
C19H15N3O2S2
SMILES
CC1=CC=C(O1)/C=C/2\C(=O)N(/C(=N/C3=NC4=CC=CC=C4S3)/S2)CC=C
InChI
InChI=1S/C19H15N3O2S2/c1-3-10-22-17(23)16(11-13-9-8-12(2)24-13)26-19(22)21-18-20-14-6-4-5-7-15(14)25-18/h3-9,11H,1,10H2,2H3/b16-11+,21-19-
InChIKey
WGIZAVBTZFLLGW-BRQLWOPXSA-N
Compound name
(2Z,5E)-2-(1,3-benzothiazol-2-ylimino)-5-[(5-methylfuran-2-yl)methylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

381.06058 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.06786 191.5
[M+Na]+ 404.04980 204.7
[M-H]- 380.05330 203.8
[M+NH4]+ 399.09440 208.4
[M+K]+ 420.02374 199.1
[M+H-H2O]+ 364.05784 187.0
[M+HCOO]- 426.05878 207.4
[M+CH3COO]- 440.07443 203.8
[M+Na-2H]- 402.03525 186.8
[M]+ 381.06003 198.8
[M]- 381.06113 198.8
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.