CID 4617217

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

26
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

literature stripe

Patent stripe

patents stripe