CID 177843208

Dtxsid401369316

Structural Information

Molecular Formula
C18H12N2O6
SMILES
C1=CC=C2C(=C1)C(=CC(=C2O)C(=O)N)OC3=C(C=C(C=C3)C=O)[N+](=O)[O-]
InChI
InChI=1S/C18H12N2O6/c19-18(23)13-8-16(11-3-1-2-4-12(11)17(13)22)26-15-6-5-10(9-21)7-14(15)20(24)25/h1-9,22H,(H2,19,23)
InChIKey
BTWCLCSPFCGVFP-UHFFFAOYSA-N
Compound name
4-(4-formyl-2-nitrophenoxy)-1-hydroxynaphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

352.06955 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.076826 176.3
[M+Na]+ 375.058768 182.8
[M-H]- 351.062274 182.6
[M+NH4]+ 370.103373 187.6
[M+K]+ 391.032708 175.1
[M+H-H2O]+ 335.066810 172.0
[M+HCOO]- 397.067751 198.5
[M+CH3COO]- 411.083401 208.6
[M+Na-2H]- 373.044216 181.6
[M]+ 352.06900142 176.1
[M]- 352.07009858 176.1
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.