CID 481492

Chembl63313

Structural Information

Molecular Formula
C17H12N2O3
SMILES
C1=CC=C2C=C(C=CC2=C1)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C17H12N2O3/c20-17(18-15-7-9-16(10-8-15)19(21)22)14-6-5-12-3-1-2-4-13(12)11-14/h1-11H,(H,18,20)
InChIKey
NLUWLSIWLAKEAN-UHFFFAOYSA-N
Compound name
N-(4-nitrophenyl)naphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

292.08478 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.09206 163.1
[M+Na]+ 315.07400 168.6
[M-H]- 291.07750 170.5
[M+NH4]+ 310.11860 177.6
[M+K]+ 331.04794 160.4
[M+H-H2O]+ 275.08204 159.0
[M+HCOO]- 337.08298 187.5
[M+CH3COO]- 351.09863 198.6
[M+Na-2H]- 313.05945 171.7
[M]+ 292.08423 160.8
[M]- 292.08533 160.8
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.