CID 481488

Chembl65408

Structural Information

Molecular Formula
C19H16ClNO2
SMILES
C1=CC=C2C=C(C(=CC2=C1)C(=O)NCCC3=CC=C(C=C3)Cl)O
InChI
InChI=1S/C19H16ClNO2/c20-16-7-5-13(6-8-16)9-10-21-19(23)17-11-14-3-1-2-4-15(14)12-18(17)22/h1-8,11-12,22H,9-10H2,(H,21,23)
InChIKey
AWDPSKHWWLVOBV-UHFFFAOYSA-N
Compound name
N-[2-(4-chlorophenyl)ethyl]-3-hydroxynaphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

325.08694 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.09422 174.0
[M+Na]+ 348.07616 182.0
[M-H]- 324.07966 180.1
[M+NH4]+ 343.12076 189.0
[M+K]+ 364.05010 175.0
[M+H-H2O]+ 308.08420 166.7
[M+HCOO]- 370.08514 191.0
[M+CH3COO]- 384.10079 184.8
[M+Na-2H]- 346.06161 178.7
[M]+ 325.08639 176.1
[M]- 325.08749 176.1
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

No patent data available for this compound.