CID 16075363

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

Structural Information

Molecular Formula
C27H24N4O7S
SMILES
CC1=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/C27H24N4O7S/c1-16-7-9-18(10-8-16)27-30(26(36)20(39-27)14-24(35)38-31-22(33)11-12-23(31)34)29-21(32)15-37-19-6-2-4-17-5-3-13-28-25(17)19/h2-10,13,20,27H,11-12,14-15H2,1H3,(H,29,32)
InChIKey
CVWYWZLZGAAZCH-UHFFFAOYSA-N
Compound name
(2,5-dioxopyrrolidin-1-yl) 2-[2-(4-methylphenyl)-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

548.1366 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 549.14388 226.1
[M+Na]+ 571.12582 230.6
[M-H]- 547.12932 236.3
[M+NH4]+ 566.17042 230.6
[M+K]+ 587.09976 226.7
[M+H-H2O]+ 531.13386 216.9
[M+HCOO]- 593.13480 236.7
[M+CH3COO]- 607.15045 248.6
[M+Na-2H]- 569.11127 219.8
[M]+ 548.13605 230.5
[M]- 548.13715 230.5
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.