CID 135923491

5-piperonylidenerhodanine-2-oxime

Structural Information

Molecular Formula
C11H8N2O4S
SMILES
C1OC2=C(O1)C=C(C=C2)C=C3C(=O)N/C(=N/O)/S3
InChI
InChI=1S/C11H8N2O4S/c14-10-9(18-11(12-10)13-15)4-6-1-2-7-8(3-6)17-5-16-7/h1-4,15H,5H2,(H,12,13,14)
InChIKey
PEVLJHABSBSAHS-UHFFFAOYSA-N
Compound name
(2Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-hydroxyimino-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.02048 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.02776 156.8
[M+Na]+ 287.00970 166.0
[M+NH4]+ 282.05430 163.7
[M+K]+ 302.98364 163.7
[M-H]- 263.01320 160.8
[M+Na-2H]- 284.99515 158.4
[M]+ 264.01993 159.3
[M]- 264.02103 159.3
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.