CID 9575452

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

Structural Information

Molecular Formula
C20H15N3O2S2
SMILES
C=CCN\1C(=O)/C(=C/C2=CC(=CC=C2)O)/S/C1=N\C3=NC4=CC=CC=C4S3
InChI
InChI=1S/C20H15N3O2S2/c1-2-10-23-18(25)17(12-13-6-5-7-14(24)11-13)27-20(23)22-19-21-15-8-3-4-9-16(15)26-19/h2-9,11-12,24H,1,10H2/b17-12-,22-20-
InChIKey
OLVDJHZJZYNUSZ-RDTAYAABSA-N
Compound name
(2Z,5Z)-2-(1,3-benzothiazol-2-ylimino)-5-[(3-hydroxyphenyl)methylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

393.06058 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.06786 192.4
[M+Na]+ 416.04980 204.0
[M-H]- 392.05330 201.7
[M+NH4]+ 411.09440 207.1
[M+K]+ 432.02374 195.4
[M+H-H2O]+ 376.05784 186.0
[M+HCOO]- 438.05878 206.0
[M+CH3COO]- 452.07443 203.0
[M+Na-2H]- 414.03525 189.7
[M]+ 393.06003 196.5
[M]- 393.06113 196.5
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.