CID 118375

33006-61-0

Structural Information

Molecular Formula
C23H21N3O4S3
SMILES
CCN1C(=CC=C2C(=O)N(C(=C3C(=O)N(C(=S)S3)CC(=O)O)S2)CC)C=CC4=CC=CC=C41
InChI
InChI=1S/C23H21N3O4S3/c1-3-24-15(10-9-14-7-5-6-8-16(14)24)11-12-17-20(29)25(4-2)22(32-17)19-21(30)26(13-18(27)28)23(31)33-19/h5-12H,3-4,13H2,1-2H3,(H,27,28)
InChIKey
VHIKFXFCFRHFNM-UHFFFAOYSA-N
Compound name
2-[5-[3-ethyl-5-[2-(1-ethylquinolin-2-ylidene)ethylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

499.06943 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 500.07671 217.3
[M+Na]+ 522.05865 226.9
[M+NH4]+ 517.10325 221.6
[M+K]+ 538.03259 218.6
[M-H]- 498.06215 218.8
[M+Na-2H]- 520.04410 217.6
[M]+ 499.06888 220.1
[M]- 499.06998 220.1
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

patents stripe