CID 9575464

(2z,5e)-3-allyl-2-(1,3-benzothiazol-2-ylimino)-5-[(e)-3-phenylprop-2-enylidene]thiazolidin-4-one

Structural Information

Molecular Formula
C22H17N3OS2
SMILES
C=CCN\1C(=O)/C(=C\C=C\C2=CC=CC=C2)/S/C1=N\C3=NC4=CC=CC=C4S3
InChI
InChI=1S/C22H17N3OS2/c1-2-15-25-20(26)19(14-8-11-16-9-4-3-5-10-16)28-22(25)24-21-23-17-12-6-7-13-18(17)27-21/h2-14H,1,15H2/b11-8+,19-14+,24-22-
InChIKey
NTZUCIVNIDUPLG-OXEXEKHKSA-N
Compound name
(2Z,5E)-2-(1,3-benzothiazol-2-ylimino)-5-[(E)-3-phenylprop-2-enylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

403.0813 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.08858 198.0
[M+Na]+ 426.07052 209.2
[M-H]- 402.07402 208.0
[M+NH4]+ 421.11512 212.8
[M+K]+ 442.04446 199.8
[M+H-H2O]+ 386.07856 190.7
[M+HCOO]- 448.07950 212.4
[M+CH3COO]- 462.09515 208.3
[M+Na-2H]- 424.05597 194.7
[M]+ 403.08075 201.9
[M]- 403.08185 201.9
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.