CID 6246550

N-(4-ethoxyphenyl)-2-{(3z)-3-[3-(4-fluorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-2-oxo-2,3-dihydro-1h-indol-1-yl}acetamide

Structural Information

Molecular Formula
C28H22FN3O4S2
SMILES
CCOC1=CC=C(C=C1)NC(=O)CN2C3=CC=CC=C3/C(=C/4\C(=O)N(C(=S)S4)CC5=CC=C(C=C5)F)/C2=O
InChI
InChI=1S/C28H22FN3O4S2/c1-2-36-20-13-11-19(12-14-20)30-23(33)16-31-22-6-4-3-5-21(22)24(26(31)34)25-27(35)32(28(37)38-25)15-17-7-9-18(29)10-8-17/h3-14H,2,15-16H2,1H3,(H,30,33)/b25-24-
InChIKey
GOGDYBPHQQTPBU-IZHYLOQSSA-N
Compound name
N-(4-ethoxyphenyl)-2-[(3Z)-3-[3-[(4-fluorophenyl)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

547.1036 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 548.11088 229.9
[M+Na]+ 570.09282 238.0
[M-H]- 546.09632 239.8
[M+NH4]+ 565.13742 237.4
[M+K]+ 586.06676 229.4
[M+H-H2O]+ 530.10086 221.8
[M+HCOO]- 592.10180 237.6
[M+CH3COO]- 606.11745 236.5
[M+Na-2H]- 568.07827 222.2
[M]+ 547.10305 233.1
[M]- 547.10415 233.1
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.