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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.08698 165.7
[M+Na]+ 331.06892 171.4
[M-H]- 307.07242 172.1
[M+NH4]+ 326.11352 179.0
[M+K]+ 347.04286 163.1
[M+H-H2O]+ 291.07696 161.9
[M+HCOO]- 353.07790 188.7
[M+CH3COO]- 367.09355 199.4
[M+Na-2H]- 329.05437 173.5
[M]+ 308.07915 163.4
[M]- 308.08025 163.4
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

patents stripe