CID 2139130

N-(2-fluorophenyl)-2-[(3z)-3-(3-isopropyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-2-oxo-2,3-dihydro-1h-indol-1-yl]acetamide

Structural Information

Molecular Formula
C22H18FN3O3S2
SMILES
CC(C)N1C(=O)/C(=C/2\C3=CC=CC=C3N(C2=O)CC(=O)NC4=CC=CC=C4F)/SC1=S
InChI
InChI=1S/C22H18FN3O3S2/c1-12(2)26-21(29)19(31-22(26)30)18-13-7-3-6-10-16(13)25(20(18)28)11-17(27)24-15-9-5-4-8-14(15)23/h3-10,12H,11H2,1-2H3,(H,24,27)/b19-18-
InChIKey
GBGZITBRBVYVBE-HNENSFHCSA-N
Compound name
N-(2-fluorophenyl)-2-[(3Z)-2-oxo-3-(4-oxo-3-propan-2-yl-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

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.08464 206.5
[M+Na]+ 478.06658 215.3
[M-H]- 454.07008 213.7
[M+NH4]+ 473.11118 218.2
[M+K]+ 494.04052 207.6
[M+H-H2O]+ 438.07462 199.9
[M+HCOO]- 500.07556 213.5
[M+CH3COO]- 514.09121 214.6
[M+Na-2H]- 476.05203 198.6
[M]+ 455.07681 208.1
[M]- 455.07791 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.