CID 481489

Chembl63149

Structural Information

Molecular Formula
C18H14N2O4
SMILES
COC1=CC2=CC=CC=C2C=C1C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C18H14N2O4/c1-24-17-11-13-5-3-2-4-12(13)10-16(17)18(21)19-14-6-8-15(9-7-14)20(22)23/h2-11H,1H3,(H,19,21)
InChIKey
WLXQUTAUQBZRKG-UHFFFAOYSA-N
Compound name
3-methoxy-N-(4-nitrophenyl)naphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

322.09537 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.10265 171.3
[M+Na]+ 345.08459 176.9
[M-H]- 321.08809 178.8
[M+NH4]+ 340.12919 184.7
[M+K]+ 361.05853 169.2
[M+H-H2O]+ 305.09263 166.9
[M+HCOO]- 367.09357 195.3
[M+CH3COO]- 381.10922 204.9
[M+Na-2H]- 343.07004 178.8
[M]+ 322.09482 171.0
[M]- 322.09592 171.0
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.