CID 371859

Nsc646379

Structural Information

Molecular Formula
C25H15N3O6
SMILES
C1=CC=C2C(=C1)C(=O)C=C(O2)C(=O)NC3=NC(=CC=C3)NC(=O)C4=CC(=O)C5=CC=CC=C5O4
InChI
InChI=1S/C25H15N3O6/c29-16-12-20(33-18-8-3-1-6-14(16)18)24(31)27-22-10-5-11-23(26-22)28-25(32)21-13-17(30)15-7-2-4-9-19(15)34-21/h1-13H,(H2,26,27,28,31,32)
InChIKey
OUUIOHXMIGYVFF-UHFFFAOYSA-N
Compound name
4-oxo-N-[6-[(4-oxochromene-2-carbonyl)amino]pyridin-2-yl]chromene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

453.0961 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.10338 206.6
[M+Na]+ 476.08532 215.3
[M-H]- 452.08882 218.8
[M+NH4]+ 471.12992 211.3
[M+K]+ 492.05926 212.9
[M+H-H2O]+ 436.09336 193.8
[M+HCOO]- 498.09430 226.8
[M+CH3COO]- 512.10995 215.8
[M+Na-2H]- 474.07077 214.4
[M]+ 453.09555 211.6
[M]- 453.09665 211.6
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.