CID 16075360

(2,5-dioxopyrrolidin-1-yl) 2-[4-oxo-2-phenyl-3-[[2-(8-quinolyloxy)acetyl]amino]thiazolidin-5-yl]acetate

Structural Information

Molecular Formula
C26H22N4O7S
SMILES
C1CC(=O)N(C1=O)OC(=O)CC2C(=O)N(C(S2)C3=CC=CC=C3)NC(=O)COC4=CC=CC5=C4N=CC=C5
InChI
InChI=1S/C26H22N4O7S/c31-20(15-36-18-10-4-8-16-9-5-13-27-24(16)18)28-29-25(35)19(38-26(29)17-6-2-1-3-7-17)14-23(34)37-30-21(32)11-12-22(30)33/h1-10,13,19,26H,11-12,14-15H2,(H,28,31)
InChIKey
SSYJRZBEYLKAHB-UHFFFAOYSA-N
Compound name
(2,5-dioxopyrrolidin-1-yl) 2-[4-oxo-2-phenyl-3-[(2-quinolin-8-yloxyacetyl)amino]-1,3-thiazolidin-5-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

534.1209 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 535.12818 221.2
[M+Na]+ 557.11012 225.4
[M-H]- 533.11362 231.2
[M+NH4]+ 552.15472 226.0
[M+K]+ 573.08406 221.6
[M+H-H2O]+ 517.11816 211.9
[M+HCOO]- 579.11910 232.2
[M+CH3COO]- 593.13475 244.4
[M+Na-2H]- 555.09557 216.0
[M]+ 534.12035 224.9
[M]- 534.12145 224.9
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.