CID 3042485

59749-49-4

Structural Information

Molecular Formula
C24H17N3O7
SMILES
C1CC(=O)N(C1C(=O)NC2=CC(=O)C3=CC=CC=C3O2)C(=O)NC4=CC(=O)C5=CC=CC=C5O4
InChI
InChI=1S/C24H17N3O7/c28-16-11-20(33-18-7-3-1-5-13(16)18)25-23(31)15-9-10-22(30)27(15)24(32)26-21-12-17(29)14-6-2-4-8-19(14)34-21/h1-8,11-12,15H,9-10H2,(H,25,31)(H,26,32)
InChIKey
UZTUTHUMRCEYQN-UHFFFAOYSA-N
Compound name
5-oxo-1-N,2-N-bis(4-oxochromen-2-yl)pyrrolidine-1,2-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

459.10666 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.11394 204.1
[M+Na]+ 482.09588 212.1
[M-H]- 458.09938 216.7
[M+NH4]+ 477.14048 210.8
[M+K]+ 498.06982 210.4
[M+H-H2O]+ 442.10392 193.9
[M+HCOO]- 504.10486 223.4
[M+CH3COO]- 518.12051 213.6
[M+Na-2H]- 480.08133 207.6
[M]+ 459.10611 208.4
[M]- 459.10721 208.4
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.