CID 16075362

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

Structural Information

Molecular Formula
C27H24N4O8S
SMILES
COC1=CC=C(C=C1)C2N(C(=O)C(S2)CC(=O)ON3C(=O)CCC3=O)NC(=O)COC4=CC=CC5=C4N=CC=C5
InChI
InChI=1S/C27H24N4O8S/c1-37-18-9-7-17(8-10-18)27-30(26(36)20(40-27)14-24(35)39-31-22(33)11-12-23(31)34)29-21(32)15-38-19-6-2-4-16-5-3-13-28-25(16)19/h2-10,13,20,27H,11-12,14-15H2,1H3,(H,29,32)
InChIKey
RSVHZCMFFHVKHX-UHFFFAOYSA-N
Compound name
(2,5-dioxopyrrolidin-1-yl) 2-[2-(4-methoxyphenyl)-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

564.1315 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 565.13878 227.3
[M+Na]+ 587.12072 231.2
[M-H]- 563.12422 237.4
[M+NH4]+ 582.16532 230.9
[M+K]+ 603.09466 228.3
[M+H-H2O]+ 547.12876 218.1
[M+HCOO]- 609.12970 238.0
[M+CH3COO]- 623.14535 250.8
[M+Na-2H]- 585.10617 221.6
[M]+ 564.13095 233.0
[M]- 564.13205 233.0
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.