CID 9576652

2-((p-acetamidobenzylidene)hydrazino)-4-oxo-5-thiazolidineacetic acid

Structural Information

Molecular Formula
C14H16N4O4S
SMILES
CC(=O)NC1=CC=C(C=C1)/C=N/NC2NC(=O)C(S2)CC(=O)O
InChI
InChI=1S/C14H16N4O4S/c1-8(19)16-10-4-2-9(3-5-10)7-15-18-14-17-13(22)11(23-14)6-12(20)21/h2-5,7,11,14,18H,6H2,1H3,(H,16,19)(H,17,22)(H,20,21)/b15-7+
InChIKey
VSXAHCUCLYMWQJ-VIZOYTHASA-N
Compound name
2-[2-[(2E)-2-[(4-acetamidophenyl)methylidene]hydrazinyl]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.08923 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.09651 174.8
[M+Na]+ 359.07845 178.9
[M-H]- 335.08195 178.6
[M+NH4]+ 354.12305 187.3
[M+K]+ 375.05239 174.7
[M+H-H2O]+ 319.08649 166.7
[M+HCOO]- 381.08743 191.5
[M+CH3COO]- 395.10308 211.4
[M+Na-2H]- 357.06390 173.6
[M]+ 336.08868 173.3
[M]- 336.08978 173.3
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.