CID 9575445

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

Structural Information

Molecular Formula
C18H13N3OS3
SMILES
C=CCN\1C(=O)/C(=C\C2=CC=CS2)/S/C1=N\C3=NC4=CC=CC=C4S3
InChI
InChI=1S/C18H13N3OS3/c1-2-9-21-16(22)15(11-12-6-5-10-23-12)25-18(21)20-17-19-13-7-3-4-8-14(13)24-17/h2-8,10-11H,1,9H2/b15-11+,20-18-
InChIKey
PPPJISASYARWTI-OTUPYVCLSA-N
Compound name
(2Z,5E)-2-(1,3-benzothiazol-2-ylimino)-3-prop-2-enyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

383.02206 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.02934 191.0
[M+Na]+ 406.01128 204.7
[M-H]- 382.01478 201.7
[M+NH4]+ 401.05588 209.0
[M+K]+ 421.98522 196.8
[M+H-H2O]+ 366.01932 187.0
[M+HCOO]- 428.02026 202.4
[M+CH3COO]- 442.03591 202.5
[M+Na-2H]- 403.99673 186.6
[M]+ 383.02151 196.0
[M]- 383.02261 196.0
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.