CID 9575446

(2z,5e)-3-allyl-2-(1,3-benzothiazol-2-ylimino)-5-(2-pyridylmethylene)thiazolidin-4-one

Structural Information

Molecular Formula
C19H14N4OS2
SMILES
C=CCN\1C(=O)/C(=C\C2=CC=CC=N2)/S/C1=N\C3=NC4=CC=CC=C4S3
InChI
InChI=1S/C19H14N4OS2/c1-2-11-23-17(24)16(12-13-7-5-6-10-20-13)26-19(23)22-18-21-14-8-3-4-9-15(14)25-18/h2-10,12H,1,11H2/b16-12+,22-19-
InChIKey
KHZHTKNNRVBJEG-LQRSSTQKSA-N
Compound name
(2Z,5E)-2-(1,3-benzothiazol-2-ylimino)-3-prop-2-enyl-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

378.0609 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.06818 188.7
[M+Na]+ 401.05012 201.0
[M-H]- 377.05362 197.9
[M+NH4]+ 396.09472 203.2
[M+K]+ 417.02406 192.6
[M+H-H2O]+ 361.05816 181.3
[M+HCOO]- 423.05910 202.7
[M+CH3COO]- 437.07475 199.6
[M+Na-2H]- 399.03557 186.6
[M]+ 378.06035 192.8
[M]- 378.06145 192.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.