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]+ 283.07134 159.9
[M+Na]+ 305.05328 168.0
[M-H]- 281.05678 166.2
[M+NH4]+ 300.09788 172.3
[M+K]+ 321.02722 160.1
[M+H-H2O]+ 265.06132 155.6
[M+HCOO]- 327.06226 181.4
[M+CH3COO]- 341.07791 190.7
[M+Na-2H]- 303.03873 170.1
[M]+ 282.06351 159.3
[M]- 282.06461 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.