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 155.2
[M+Na]+ 287.00970 164.3
[M-H]- 263.01320 162.3
[M+NH4]+ 282.05430 172.3
[M+K]+ 302.98364 162.1
[M+H-H2O]+ 247.01774 150.7
[M+HCOO]- 309.01868 170.9
[M+CH3COO]- 323.03433 167.7
[M+Na-2H]- 284.99515 156.9
[M]+ 264.01993 156.1
[M]- 264.02103 156.1
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.