CID 9575454

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

Structural Information

Molecular Formula
C21H17N3O2S2
SMILES
COC1=CC=CC=C1/C=C\2/C(=O)N(/C(=N/C3=NC4=CC=CC=C4S3)/S2)CC=C
InChI
InChI=1S/C21H17N3O2S2/c1-3-12-24-19(25)18(13-14-8-4-6-10-16(14)26-2)28-21(24)23-20-22-15-9-5-7-11-17(15)27-20/h3-11,13H,1,12H2,2H3/b18-13-,23-21-
InChIKey
JVLBQGZBFALBQG-GTTZXGSRSA-N
Compound name
(2Z,5Z)-2-(1,3-benzothiazol-2-ylimino)-5-[(2-methoxyphenyl)methylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

407.07623 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.08351 197.4
[M+Na]+ 430.06545 208.9
[M-H]- 406.06895 207.8
[M+NH4]+ 425.11005 212.1
[M+K]+ 446.03939 200.9
[M+H-H2O]+ 390.07349 190.3
[M+HCOO]- 452.07443 212.0
[M+CH3COO]- 466.09008 208.1
[M+Na-2H]- 428.05090 194.3
[M]+ 407.07568 203.4
[M]- 407.07678 203.4
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.