CID 1425023

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

Structural Information

Molecular Formula
C19H14N2O2S2
SMILES
C1=CC=C(C=C1)CCN2C(=C(SC2=S)C3=C4C=CC=CC4=NC3=O)O
InChI
InChI=1S/C19H14N2O2S2/c22-17-15(13-8-4-5-9-14(13)20-17)16-18(23)21(19(24)25-16)11-10-12-6-2-1-3-7-12/h1-9,23H,10-11H2
InChIKey
IXLPLNPFTXVUGQ-UHFFFAOYSA-N
Compound name
3-[4-hydroxy-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.04968 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.05696 183.8
[M+Na]+ 389.03890 197.8
[M-H]- 365.04240 193.0
[M+NH4]+ 384.08350 199.6
[M+K]+ 405.01284 189.5
[M+H-H2O]+ 349.04694 178.2
[M+HCOO]- 411.04788 197.9
[M+CH3COO]- 425.06353 195.8
[M+Na-2H]- 387.02435 181.9
[M]+ 366.04913 190.7
[M]- 366.05023 190.7
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.