CID 2139131

617698-53-0

Structural Information

Molecular Formula
C22H16FN3O3S2
SMILES
C=CCN1C(=O)/C(=C/2\C3=CC=CC=C3N(C2=O)CC(=O)NC4=CC=CC=C4F)/SC1=S
InChI
InChI=1S/C22H16FN3O3S2/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/h2-10H,1,11-12H2,(H,24,27)/b19-18-
InChIKey
UYJXFCRZSUSJOU-HNENSFHCSA-N
Compound name
N-(2-fluorophenyl)-2-[(3Z)-2-oxo-3-(4-oxo-3-prop-2-enyl-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

453.0617 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.06898 207.4
[M+Na]+ 476.05092 216.5
[M+NH4]+ 471.09552 212.3
[M+K]+ 492.02486 209.5
[M-H]- 452.05442 209.2
[M+Na-2H]- 474.03637 209.3
[M]+ 453.06115 209.6
[M]- 453.06225 209.6
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.