CID 481501

Chembl62295

Structural Information

Molecular Formula
C19H16N2O5
SMILES
COC1=CC2=CC(=C(C=C2C=C1)O)C(=O)NCC3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C19H16N2O5/c1-26-16-7-4-13-10-18(22)17(9-14(13)8-16)19(23)20-11-12-2-5-15(6-3-12)21(24)25/h2-10,22H,11H2,1H3,(H,20,23)
InChIKey
AEZOGQUPARNDHB-UHFFFAOYSA-N
Compound name
3-hydroxy-7-methoxy-N-[(4-nitrophenyl)methyl]naphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

352.10593 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.11321 178.5
[M+Na]+ 375.09515 183.8
[M-H]- 351.09865 184.8
[M+NH4]+ 370.13975 190.1
[M+K]+ 391.06909 175.9
[M+H-H2O]+ 335.10319 174.1
[M+HCOO]- 397.10413 200.8
[M+CH3COO]- 411.11978 208.8
[M+Na-2H]- 373.08060 184.7
[M]+ 352.10538 178.5
[M]- 352.10648 178.5
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.