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]+ 353.07683 176.3
[M+Na]+ 375.05877 182.8
[M-H]- 351.06227 182.6
[M+NH4]+ 370.10337 187.6
[M+K]+ 391.03271 175.1
[M+H-H2O]+ 335.06681 172.0
[M+HCOO]- 397.06775 198.5
[M+CH3COO]- 411.08340 208.6
[M+Na-2H]- 373.04422 181.6
[M]+ 352.06900 176.1
[M]- 352.07010 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.