CID 5905208

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

Structural Information

Molecular Formula
C20H14FN3O3S2
SMILES
CN1C(=O)/C(=C/2\C3=CC=CC=C3N(C2=O)CC(=O)NC4=CC=CC=C4F)/SC1=S
InChI
InChI=1S/C20H14FN3O3S2/c1-23-19(27)17(29-20(23)28)16-11-6-2-5-9-14(11)24(18(16)26)10-15(25)22-13-8-4-3-7-12(13)21/h2-9H,10H2,1H3,(H,22,25)/b17-16-
InChIKey
FQCNLZQLAIVQMI-MSUUIHNZSA-N
Compound name
N-(2-fluorophenyl)-2-[(3Z)-3-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-2-oxoindol-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

427.04605 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.05333 198.8
[M+Na]+ 450.03527 209.1
[M-H]- 426.03877 206.4
[M+NH4]+ 445.07987 211.8
[M+K]+ 466.00921 201.1
[M+H-H2O]+ 410.04331 192.3
[M+HCOO]- 472.04425 207.6
[M+CH3COO]- 486.05990 207.9
[M+Na-2H]- 448.02072 192.4
[M]+ 427.04550 200.3
[M]- 427.04660 200.3
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.