CID 4164580

4-chloro-1-hydroxy-n-(3-nitrophenyl)naphthalene-2-carboxamide

Structural Information

Molecular Formula
C17H11ClN2O4
SMILES
C1=CC=C2C(=C1)C(=CC(=C2O)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-])Cl
InChI
InChI=1S/C17H11ClN2O4/c18-15-9-14(16(21)13-7-2-1-6-12(13)15)17(22)19-10-4-3-5-11(8-10)20(23)24/h1-9,21H,(H,19,22)
InChIKey
AFDDVFAAUCWOBI-UHFFFAOYSA-N
Compound name
4-chloro-1-hydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

342.04074 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.04802 173.6
[M+Na]+ 365.02996 180.7
[M-H]- 341.03346 179.9
[M+NH4]+ 360.07456 186.7
[M+K]+ 381.00390 171.1
[M+H-H2O]+ 325.03800 171.0
[M+HCOO]- 387.03894 192.0
[M+CH3COO]- 401.05459 204.3
[M+Na-2H]- 363.01541 180.0
[M]+ 342.04019 174.2
[M]- 342.04129 174.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.