CID 1385322

(3z)-3-[3-(4-ethoxyphenyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-1,3-dihydro-2h-indol-2-one

Structural Information

Molecular Formula
C19H14N2O3S2
SMILES
CCOC1=CC=C(C=C1)N2C(=C(SC2=S)C3=C4C=CC=CC4=NC3=O)O
InChI
InChI=1S/C19H14N2O3S2/c1-2-24-12-9-7-11(8-10-12)21-18(23)16(26-19(21)25)15-13-5-3-4-6-14(13)20-17(15)22/h3-10,23H,2H2,1H3
InChIKey
DKTIXYLJFSRGGK-UHFFFAOYSA-N
Compound name
3-[3-(4-ethoxyphenyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.0446 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.05188 187.5
[M+Na]+ 405.03382 201.7
[M-H]- 381.03732 196.9
[M+NH4]+ 400.07842 202.6
[M+K]+ 421.00776 194.1
[M+H-H2O]+ 365.04186 181.9
[M+HCOO]- 427.04280 201.5
[M+CH3COO]- 441.05845 199.5
[M+Na-2H]- 403.01927 185.2
[M]+ 382.04405 196.1
[M]- 382.04515 196.1
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.