CID 16075361

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

Structural Information

Molecular Formula
C26H21ClN4O7S
SMILES
C1CC(=O)N(C1=O)OC(=O)CC2C(=O)N(C(S2)C3=CC=C(C=C3)Cl)NC(=O)COC4=CC=CC5=C4N=CC=C5
InChI
InChI=1S/C26H21ClN4O7S/c27-17-8-6-16(7-9-17)26-30(25(36)19(39-26)13-23(35)38-31-21(33)10-11-22(31)34)29-20(32)14-37-18-5-1-3-15-4-2-12-28-24(15)18/h1-9,12,19,26H,10-11,13-14H2,(H,29,32)
InChIKey
NAIKFBAAXDVUHF-UHFFFAOYSA-N
Compound name
(2,5-dioxopyrrolidin-1-yl) 2-[2-(4-chlorophenyl)-4-oxo-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

568.082 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 569.08928 228.1
[M+Na]+ 591.07122 233.7
[M-H]- 567.07472 238.5
[M+NH4]+ 586.11582 232.8
[M+K]+ 607.04516 229.2
[M+H-H2O]+ 551.07926 219.4
[M+HCOO]- 613.08020 234.6
[M+CH3COO]- 627.09585 248.9
[M+Na-2H]- 589.05667 221.9
[M]+ 568.08145 234.6
[M]- 568.08255 234.6
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.