CID 481490

Chembl63723

Structural Information

Molecular Formula
C19H16N2O5
SMILES
COCOC1=CC2=CC=CC=C2C=C1C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C19H16N2O5/c1-25-12-26-18-11-14-5-3-2-4-13(14)10-17(18)19(22)20-15-6-8-16(9-7-15)21(23)24/h2-11H,12H2,1H3,(H,20,22)
InChIKey
OSRAPSLHEARREC-UHFFFAOYSA-N
Compound name
3-(methoxymethoxy)-N-(4-nitrophenyl)naphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

352.10593 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.11321 179.0
[M+Na]+ 375.09515 183.8
[M-H]- 351.09865 186.2
[M+NH4]+ 370.13975 190.9
[M+K]+ 391.06909 176.6
[M+H-H2O]+ 335.10319 174.0
[M+HCOO]- 397.10413 202.7
[M+CH3COO]- 411.11978 210.1
[M+Na-2H]- 373.08060 186.1
[M]+ 352.10538 180.2
[M]- 352.10648 180.2
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.