CID 392001

Nsc691795

Structural Information

Molecular Formula
C18H10N2O5
SMILES
C1=CC=C2C(=C1)C3=C(C=C(C(=O)O3)NC(=O)C4=CN=CC=C4)C(=O)O2
InChI
InChI=1S/C18H10N2O5/c21-16(10-4-3-7-19-9-10)20-13-8-12-15(25-18(13)23)11-5-1-2-6-14(11)24-17(12)22/h1-9H,(H,20,21)
InChIKey
LAPPAYFJPFBKNZ-UHFFFAOYSA-N
Compound name
N-(2,5-dioxopyrano[3,2-c]chromen-3-yl)pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.05896 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.06624 173.4
[M+Na]+ 357.04818 184.9
[M-H]- 333.05168 183.3
[M+NH4]+ 352.09278 184.5
[M+K]+ 373.02212 182.7
[M+H-H2O]+ 317.05622 163.3
[M+HCOO]- 379.05716 195.2
[M+CH3COO]- 393.07281 185.9
[M+Na-2H]- 355.03363 183.9
[M]+ 334.05841 179.4
[M]- 334.05951 179.4
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.