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 206.7
[M+Na]+ 476.05092 216.2
[M-H]- 452.05442 213.9
[M+NH4]+ 471.09552 218.5
[M+K]+ 492.02486 207.3
[M+H-H2O]+ 436.05896 199.8
[M+HCOO]- 498.05990 214.9
[M+CH3COO]- 512.07555 214.9
[M+Na-2H]- 474.03637 199.4
[M]+ 453.06115 208.1
[M]- 453.06225 208.1
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.