CID 457328

N-(4-chlorophenyl)-3,5-dihydroxy-2-naphthamide

Structural Information

Molecular Formula
C17H12ClNO3
SMILES
C1=CC2=CC(=C(C=C2C(=C1)O)O)C(=O)NC3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H12ClNO3/c18-11-4-6-12(7-5-11)19-17(22)14-8-10-2-1-3-15(20)13(10)9-16(14)21/h1-9,20-21H,(H,19,22)
InChIKey
CKYJLRNLWJNHRK-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)-3,5-dihydroxynaphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.05057 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.05785 167.6
[M+Na]+ 336.03979 176.9
[M-H]- 312.04329 173.2
[M+NH4]+ 331.08439 182.7
[M+K]+ 352.01373 170.3
[M+H-H2O]+ 296.04783 161.2
[M+HCOO]- 358.04877 184.0
[M+CH3COO]- 372.06442 178.9
[M+Na-2H]- 334.02524 172.4
[M]+ 313.05002 169.1
[M]- 313.05112 169.1
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.