CID 9575450

(2z,5z)-3-allyl-2-(1,3-benzothiazol-2-ylimino)-5-(p-tolylmethylene)thiazolidin-4-one

Structural Information

Molecular Formula
C21H17N3OS2
SMILES
CC1=CC=C(C=C1)/C=C\2/C(=O)N(/C(=N/C3=NC4=CC=CC=C4S3)/S2)CC=C
InChI
InChI=1S/C21H17N3OS2/c1-3-12-24-19(25)18(13-15-10-8-14(2)9-11-15)27-21(24)23-20-22-16-6-4-5-7-17(16)26-20/h3-11,13H,1,12H2,2H3/b18-13-,23-21-
InChIKey
JAIIDUDKRKQJCW-GTTZXGSRSA-N
Compound name
(2Z,5Z)-2-(1,3-benzothiazol-2-ylimino)-5-[(4-methylphenyl)methylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

391.0813 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.08858 194.0
[M+Na]+ 414.07052 206.1
[M-H]- 390.07402 204.5
[M+NH4]+ 409.11512 209.6
[M+K]+ 430.04446 197.4
[M+H-H2O]+ 374.07856 187.1
[M+HCOO]- 436.07950 208.5
[M+CH3COO]- 450.09515 205.1
[M+Na-2H]- 412.05597 190.6
[M]+ 391.08075 198.8
[M]- 391.08185 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.