CID 5479716

1,4-dihydroxy-n-(4-nitrophenyl)naphthalene-2-carboxamide

Structural Information

Molecular Formula
C17H12N2O5
SMILES
C1=CC=C2C(=C1)C(=CC(=C2O)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-])O
InChI
InChI=1S/C17H12N2O5/c20-15-9-14(16(21)13-4-2-1-3-12(13)15)17(22)18-10-5-7-11(8-6-10)19(23)24/h1-9,20-21H,(H,18,22)
InChIKey
UOFUOUKBVUUQMJ-UHFFFAOYSA-N
Compound name
1,4-dihydroxy-N-(4-nitrophenyl)naphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.07462 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.08190 168.2
[M+Na]+ 347.06384 174.1
[M-H]- 323.06734 173.6
[M+NH4]+ 342.10844 180.3
[M+K]+ 363.03778 165.8
[M+H-H2O]+ 307.07188 164.6
[M+HCOO]- 369.07282 189.8
[M+CH3COO]- 383.08847 200.5
[M+Na-2H]- 345.04929 175.2
[M]+ 324.07407 165.9
[M]- 324.07517 165.9
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.