CID 67277

135-65-9

Structural Information

Molecular Formula
C17H12N2O4
SMILES
C1=CC=C2C=C(C(=CC2=C1)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-])O
InChI
InChI=1S/C17H12N2O4/c20-16-9-12-5-2-1-4-11(12)8-15(16)17(21)18-13-6-3-7-14(10-13)19(22)23/h1-10,20H,(H,18,21)
InChIKey
YZJSKRBKHCLMQC-UHFFFAOYSA-N
Compound name
3-hydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

261
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