CID 3041759

Brn 0428255

Structural Information

Molecular Formula
C15H10N2O4
SMILES
C1=CC=C2C(=C1)C(=O)C=C(O2)NC(=O)C3=C[N+](=CC=C3)[O-]
InChI
InChI=1S/C15H10N2O4/c18-12-8-14(21-13-6-2-1-5-11(12)13)16-15(19)10-4-3-7-17(20)9-10/h1-9H,(H,16,19)
InChIKey
SBWMFSGUVHCVDF-UHFFFAOYSA-N
Compound name
1-oxido-N-(4-oxochromen-2-yl)pyridin-1-ium-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.06406 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.071336 159.9
[M+Na]+ 305.053278 168.0
[M-H]- 281.056784 166.2
[M+NH4]+ 300.097883 172.3
[M+K]+ 321.027218 160.1
[M+H-H2O]+ 265.061320 155.6
[M+HCOO]- 327.062261 181.4
[M+CH3COO]- 341.077911 190.7
[M+Na-2H]- 303.038726 170.1
[M]+ 282.06351142 159.3
[M]- 282.06460858 159.3
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.