CID 457327

3-hydroxy-7-methoxy-n-(4-nitrophenyl)naphthalene-2-carboxamide

Structural Information

Molecular Formula
C18H14N2O5
SMILES
COC1=CC2=CC(=C(C=C2C=C1)O)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C18H14N2O5/c1-25-15-7-2-11-10-17(21)16(9-12(11)8-15)18(22)19-13-3-5-14(6-4-13)20(23)24/h2-10,21H,1H3,(H,19,22)
InChIKey
DDRHYVYIYDKGMC-UHFFFAOYSA-N
Compound name
3-hydroxy-7-methoxy-N-(4-nitrophenyl)naphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.09027 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.09755 173.7
[M+Na]+ 361.07949 179.5
[M-H]- 337.08299 180.2
[M+NH4]+ 356.12409 185.9
[M+K]+ 377.05343 171.8
[M+H-H2O]+ 321.08753 169.5
[M+HCOO]- 383.08847 196.4
[M+CH3COO]- 397.10412 205.8
[M+Na-2H]- 359.06494 180.4
[M]+ 338.08972 173.4
[M]- 338.09082 173.4
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.