CID 5057583

155812-61-6

Structural Information

Molecular Formula
C19H16ClNO3
SMILES
COC1=CC(=C(C=C1NC(=O)C2=CC=CC3=CC=CC=C32)OC)Cl
InChI
InChI=1S/C19H16ClNO3/c1-23-17-11-16(18(24-2)10-15(17)20)21-19(22)14-9-5-7-12-6-3-4-8-13(12)14/h3-11H,1-2H3,(H,21,22)
InChIKey
YMFDHCMYWDHYPR-UHFFFAOYSA-N
Compound name
N-(4-chloro-2,5-dimethoxyphenyl)naphthalene-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.08188 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.08916 177.3
[M+Na]+ 364.07110 186.4
[M-H]- 340.07460 185.2
[M+NH4]+ 359.11570 192.5
[M+K]+ 380.04504 181.0
[M+H-H2O]+ 324.07914 169.5
[M+HCOO]- 386.08008 195.9
[M+CH3COO]- 400.09573 213.5
[M+Na-2H]- 362.05655 181.7
[M]+ 341.08133 183.0
[M]- 341.08243 183.0
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.