CID 2139059

617694-78-7

Structural Information

Molecular Formula
C24H23N3O5S2
SMILES
CCCN1C(=O)/C(=C/2\C3=CC=CC=C3N(C2=O)CC(=O)NC4=C(C=C(C=C4)OC)OC)/SC1=S
InChI
InChI=1S/C24H23N3O5S2/c1-4-11-26-23(30)21(34-24(26)33)20-15-7-5-6-8-17(15)27(22(20)29)13-19(28)25-16-10-9-14(31-2)12-18(16)32-3/h5-10,12H,4,11,13H2,1-3H3,(H,25,28)/b21-20-
InChIKey
COSGPRGEOWAUGV-MRCUWXFGSA-N
Compound name
N-(2,4-dimethoxyphenyl)-2-[(3Z)-2-oxo-3-(4-oxo-3-propyl-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

497.1079 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 498.11518 218.1
[M+Na]+ 520.09712 226.0
[M-H]- 496.10062 226.4
[M+NH4]+ 515.14172 228.0
[M+K]+ 536.07106 219.4
[M+H-H2O]+ 480.10516 211.9
[M+HCOO]- 542.10610 226.7
[M+CH3COO]- 556.12175 239.9
[M+Na-2H]- 518.08257 211.0
[M]+ 497.10735 224.6
[M]- 497.10845 224.6
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.