CID 5914020

N-(3,4-dimethylphenyl)-2-{(3z)-2-oxo-3-[4-oxo-3-(1-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=C(C=C1)NC(=O)CN2C3=CC=CC=C3/C(=C/4\C(=O)N(C(=S)S4)C(C)C5=CC=CC=C5)/C2=O)C
InChI
InChI=1S/C29H25N3O3S2/c1-17-13-14-21(15-18(17)2)30-24(33)16-31-23-12-8-7-11-22(23)25(27(31)34)26-28(35)32(29(36)37-26)19(3)20-9-5-4-6-10-20/h4-15,19H,16H2,1-3H3,(H,30,33)/b26-25-
InChIKey
ASEYITUXWGDKAN-QPLCGJKRSA-N
Compound name
N-(3,4-dimethylphenyl)-2-[(3Z)-2-oxo-3-[4-oxo-3-(1-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

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 528.14098 228.2
[M+Na]+ 550.12292 235.9
[M-H]- 526.12642 239.5
[M+NH4]+ 545.16752 236.7
[M+K]+ 566.09686 227.5
[M+H-H2O]+ 510.13096 221.3
[M+HCOO]- 572.13190 235.4
[M+CH3COO]- 586.14755 235.1
[M+Na-2H]- 548.10837 219.5
[M]+ 527.13315 230.9
[M]- 527.13425 230.9
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.