CID 5932598

((5z)-5-{1-[2-(4-methoxyanilino)-2-oxoethyl]-2-oxo-1,2-dihydro-3h-indol-3-ylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl)acetic acid

Structural Information

Molecular Formula
C22H17N3O6S2
SMILES
COC1=CC=C(C=C1)NC(=O)CN2C3=CC=CC=C3/C(=C/4\C(=O)N(C(=S)S4)CC(=O)O)/C2=O
InChI
InChI=1S/C22H17N3O6S2/c1-31-13-8-6-12(7-9-13)23-16(26)10-24-15-5-3-2-4-14(15)18(20(24)29)19-21(30)25(11-17(27)28)22(32)33-19/h2-9H,10-11H2,1H3,(H,23,26)(H,27,28)/b19-18-
InChIKey
KPQNRPKNLZCXLQ-HNENSFHCSA-N
Compound name
2-[(5Z)-5-[1-[2-(4-methoxyanilino)-2-oxoethyl]-2-oxoindol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

483.05588 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.06316 211.4
[M+Na]+ 506.04510 218.4
[M-H]- 482.04860 218.4
[M+NH4]+ 501.08970 220.6
[M+K]+ 522.01904 212.2
[M+H-H2O]+ 466.05314 205.9
[M+HCOO]- 528.05408 218.5
[M+CH3COO]- 542.06973 233.6
[M+Na-2H]- 504.03055 205.4
[M]+ 483.05533 215.4
[M]- 483.05643 215.4
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.