CID 481491

Chembl61847

Structural Information

Molecular Formula
C19H16ClNO2
SMILES
COC1=CC2=CC=CC=C2C=C1C(=O)NCC3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H16ClNO2/c1-23-18-11-15-5-3-2-4-14(15)10-17(18)19(22)21-12-13-6-8-16(20)9-7-13/h2-11H,12H2,1H3,(H,21,22)
InChIKey
VGOMFNBWNCJTJD-UHFFFAOYSA-N
Compound name
N-[(4-chlorophenyl)methyl]-3-methoxynaphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

325.08694 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.09422 174.3
[M+Na]+ 348.07616 182.8
[M-H]- 324.07966 181.8
[M+NH4]+ 343.12076 190.0
[M+K]+ 364.05010 176.5
[M+H-H2O]+ 308.08420 166.6
[M+HCOO]- 370.08514 192.8
[M+CH3COO]- 384.10079 210.2
[M+Na-2H]- 346.06161 179.4
[M]+ 325.08639 178.1
[M]- 325.08749 178.1
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.