CID 6287558

N-(2,5-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=CC(=C(C=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/c1-18-12-13-19(2)22(16-18)30-24(33)17-32-23-11-7-6-10-21(23)25(27(32)34)26-28(35)31(29(36)37-26)15-14-20-8-4-3-5-9-20/h3-13,16H,14-15,17H2,1-2H3,(H,30,33)/b26-25-
InChIKey
YOSHGZCQAYNENL-QPLCGJKRSA-N
Compound name
N-(2,5-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 228.8
[M+Na]+ 550.12292 237.0
[M-H]- 526.12642 240.0
[M+NH4]+ 545.16752 237.4
[M+K]+ 566.09686 227.9
[M+H-H2O]+ 510.13096 221.5
[M+HCOO]- 572.13190 237.1
[M+CH3COO]- 586.14755 235.8
[M+Na-2H]- 548.10837 220.7
[M]+ 527.13315 231.9
[M]- 527.13425 231.9
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.