CID 6447984

108583-06-8

Structural Information

Molecular Formula
C31H26N2O2S
SMILES
CC1=CC(=CC(=C1/C=C\2/C(=O)N(C(S2)C3=CNC4=CC=CC=C43)C5=CC=CC6=CC=CC=C65)C)OC
InChI
InChI=1S/C31H26N2O2S/c1-19-15-22(35-3)16-20(2)25(19)17-29-30(34)33(28-14-8-10-21-9-4-5-11-23(21)28)31(36-29)26-18-32-27-13-7-6-12-24(26)27/h4-18,31-32H,1-3H3/b29-17-
InChIKey
WBFZZFJPOVYITO-RHANQZHGSA-N
Compound name
(5Z)-2-(1H-indol-3-yl)-5-[(4-methoxy-2,6-dimethylphenyl)methylidene]-3-naphthalen-1-yl-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

490.1715 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.17878 221.4
[M+Na]+ 513.16072 239.1
[M+NH4]+ 508.20532 230.0
[M+K]+ 529.13466 229.7
[M-H]- 489.16422 230.0
[M+Na-2H]- 511.14617 229.7
[M]+ 490.17095 227.2
[M]- 490.17205 227.2
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.