CID 3003979

Nsc380489

Structural Information

Molecular Formula
C16H14N2O5S
SMILES
CCOC(=O)CN1C(=O)/C(=C\2/C3=CC=CC=C3N(C2=O)C)/SC1=O
InChI
InChI=1S/C16H14N2O5S/c1-3-23-11(19)8-18-15(21)13(24-16(18)22)12-9-6-4-5-7-10(9)17(2)14(12)20/h4-7H,3,8H2,1-2H3/b13-12+
InChIKey
LKZDXOIVJSHGRA-OUKQBFOZSA-N
Compound name
ethyl 2-[(5E)-5-(1-methyl-2-oxoindol-3-ylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.06235 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.06963 179.3
[M+Na]+ 369.05157 189.2
[M-H]- 345.05507 185.4
[M+NH4]+ 364.09617 195.6
[M+K]+ 385.02551 185.2
[M+H-H2O]+ 329.05961 173.8
[M+HCOO]- 391.06055 193.4
[M+CH3COO]- 405.07620 209.1
[M+Na-2H]- 367.03702 174.1
[M]+ 346.06180 184.3
[M]- 346.06290 184.3
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.