CID 481498

Chembl292775

Structural Information

Molecular Formula
C18H14ClNO3
SMILES
C1=CC2=CC(=C(C=C2C(=C1)O)O)C(=O)NCC3=CC=C(C=C3)Cl
InChI
InChI=1S/C18H14ClNO3/c19-13-6-4-11(5-7-13)10-20-18(23)15-8-12-2-1-3-16(21)14(12)9-17(15)22/h1-9,21-22H,10H2,(H,20,23)
InChIKey
GWKYLSPGXDVNHO-UHFFFAOYSA-N
Compound name
N-[(4-chlorophenyl)methyl]-3,5-dihydroxynaphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

327.06622 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.07350 172.2
[M+Na]+ 350.05544 181.0
[M-H]- 326.05894 177.6
[M+NH4]+ 345.10004 186.7
[M+K]+ 366.02938 174.2
[M+H-H2O]+ 310.06348 165.6
[M+HCOO]- 372.06442 188.3
[M+CH3COO]- 386.08007 206.0
[M+Na-2H]- 348.04089 176.5
[M]+ 327.06567 174.1
[M]- 327.06677 174.1
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.