CID 6287559

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

Structural Information

Molecular Formula
C28H22FN3O3S2
SMILES
C1=CC=C(C=C1)CCNC(=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/C28H22FN3O3S2/c29-20-12-10-19(11-13-20)16-32-27(35)25(37-28(32)36)24-21-8-4-5-9-22(21)31(26(24)34)17-23(33)30-15-14-18-6-2-1-3-7-18/h1-13H,14-17H2,(H,30,33)/b25-24-
InChIKey
VNAMEFXPTNPYFM-IZHYLOQSSA-N
Compound name
2-[(3Z)-3-[3-[(4-fluorophenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxoindol-1-yl]-N-(2-phenylethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

531.10864 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 532.11592 226.7
[M+Na]+ 554.09786 234.7
[M-H]- 530.10136 236.3
[M+NH4]+ 549.14246 234.8
[M+K]+ 570.07180 225.2
[M+H-H2O]+ 514.10590 218.4
[M+HCOO]- 576.10684 234.4
[M+CH3COO]- 590.12249 233.3
[M+Na-2H]- 552.08331 219.1
[M]+ 531.10809 228.2
[M]- 531.10919 228.2
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.