CID 4182902

65190-34-3

Structural Information

Molecular Formula

C₁₇H₁₂N₂O₄

SMILES

C1=CC=C2C(=C1)C=CC(=C2C(=O)NC3=CC(=CC=C3)[N+](=O)[O-])O

InChI

InChI=1S/C17H12N2O4/c20-15-9-8-11-4-1-2-7-14(11)16(15)17(21)18-12-5-3-6-13(10-12)19(22)23/h1-10,20H,(H,18,21)

InChIKey

CUYSXRBZVPNZAD-UHFFFAOYSA-N

Compound name

2-hydroxy-N-(3-nitrophenyl)naphthalene-1-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 308.0797 Da
Monoisotopic Mass: 4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	309.086976	165.7
[M+Na]+	331.068918	171.4
[M-H]-	307.072424	172.1
[M+NH4]+	326.113523	179.0
[M+K]+	347.042858	163.1
[M+H-H2O]+	291.076960	161.9
[M+HCOO]-	353.077901	188.7
[M+CH3COO]-	367.093551	199.4
[M+Na-2H]-	329.054366	173.5
[M]+	308.07915142	163.4
[M]-	308.08024858	163.4

Literature stripe

literature stripe

Patent stripe

patents stripe