CID 164623615

Chembl4862287

Structural Information

Molecular Formula
C17H11FN2O6
SMILES
CC1=C2C(=CC(=C1O)[N+](=O)[O-])C=C(C(=O)O2)C(=O)NC3=CC=C(C=C3)F
InChI
InChI=1S/C17H11FN2O6/c1-8-14(21)13(20(24)25)7-9-6-12(17(23)26-15(8)9)16(22)19-11-4-2-10(18)3-5-11/h2-7,21H,1H3,(H,19,22)
InChIKey
IGPSUOIJCZGTET-UHFFFAOYSA-N
Compound name
N-(4-fluorophenyl)-7-hydroxy-8-methyl-6-nitro-2-oxochromene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

358.06012 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.06740 176.7
[M+Na]+ 381.04934 184.9
[M-H]- 357.05284 183.5
[M+NH4]+ 376.09394 187.2
[M+K]+ 397.02328 178.1
[M+H-H2O]+ 341.05738 171.6
[M+HCOO]- 403.05832 197.9
[M+CH3COO]- 417.07397 210.0
[M+Na-2H]- 379.03479 182.8
[M]+ 358.05957 177.2
[M]- 358.06067 177.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.