CID 3352872

1-hydroxy-4'-nitro-2-naphthanilide

Structural Information

Molecular Formula
C17H12N2O4
SMILES
C1=CC=C2C(=C1)C=CC(=C2O)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C17H12N2O4/c20-16-14-4-2-1-3-11(14)5-10-15(16)17(21)18-12-6-8-13(9-7-12)19(22)23/h1-10,20H,(H,18,21)
InChIKey
HDZNXUFSRGJXLN-UHFFFAOYSA-N
Compound name
1-hydroxy-N-(4-nitrophenyl)naphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
Patents

308.0797 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
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