CID 2139146

618072-53-0

Structural Information

Molecular Formula
C22H18FN3O3S2
SMILES
CCCN1C(=O)/C(=C/2\C3=CC=CC=C3N(C2=O)CC(=O)NC4=CC=CC=C4F)/SC1=S
InChI
InChI=1S/C22H18FN3O3S2/c1-2-11-25-21(29)19(31-22(25)30)18-13-7-3-6-10-16(13)26(20(18)28)12-17(27)24-15-9-5-4-8-14(15)23/h3-10H,2,11-12H2,1H3,(H,24,27)/b19-18-
InChIKey
YZZHQYFYWBUVRK-HNENSFHCSA-N
Compound name
N-(2-fluorophenyl)-2-[(3Z)-2-oxo-3-(4-oxo-3-propyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)indol-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

455.07736 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.08464 207.5
[M+Na]+ 478.06658 216.6
[M+NH4]+ 473.11118 212.7
[M+K]+ 494.04052 209.8
[M-H]- 454.07008 209.6
[M+Na-2H]- 476.05203 209.5
[M]+ 455.07681 209.9
[M]- 455.07791 209.9
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.