CID 5841756

N-(2,6-dimethylphenyl)-2-{(3z)-2-oxo-3-[4-oxo-3-(2-phenylethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]-2,3-dihydro-1h-indol-1-yl}acetamide

Structural Information

Molecular Formula
C29H25N3O3S2
SMILES
CC1=C(C(=CC=C1)C)NC(=O)CN2C3=CC=CC=C3/C(=C/4\C(=O)N(C(=S)S4)CCC5=CC=CC=C5)/C2=O
InChI
InChI=1S/C29H25N3O3S2/c1-18-9-8-10-19(2)25(18)30-23(33)17-32-22-14-7-6-13-21(22)24(27(32)34)26-28(35)31(29(36)37-26)16-15-20-11-4-3-5-12-20/h3-14H,15-17H2,1-2H3,(H,30,33)/b26-24-
InChIKey
DGJSKKOHAGEVPU-LCUIJRPUSA-N
Compound name
N-(2,6-dimethylphenyl)-2-[(3Z)-2-oxo-3-[4-oxo-3-(2-phenylethyl)-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

527.1337 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 528.14098 225.2
[M+Na]+ 550.12292 237.3
[M+NH4]+ 545.16752 231.3
[M+K]+ 566.09686 228.8
[M-H]- 526.12642 231.6
[M+Na-2H]- 548.10837 230.6
[M]+ 527.13315 229.5
[M]- 527.13425 229.5
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.