CID 78844

5165-81-1

Structural Information

Molecular Formula
C19H16ClNO3
SMILES
CC1=CC(=C(C=C1Cl)OC)NC(=O)C2=CC3=CC=CC=C3C=C2O
InChI
InChI=1S/C19H16ClNO3/c1-11-7-16(18(24-2)10-15(11)20)21-19(23)14-8-12-5-3-4-6-13(12)9-17(14)22/h3-10,22H,1-2H3,(H,21,23)
InChIKey
COXPEQKIFMVQIO-UHFFFAOYSA-N
Compound name
N-(4-chloro-2-methoxy-5-methylphenyl)-3-hydroxynaphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

18
Patents

341.08188 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.08916 177.2
[M+Na]+ 364.07110 186.9
[M-H]- 340.07460 184.2
[M+NH4]+ 359.11570 192.1
[M+K]+ 380.04504 180.8
[M+H-H2O]+ 324.07914 170.2
[M+HCOO]- 386.08008 194.4
[M+CH3COO]- 400.09573 212.5
[M+Na-2H]- 362.05655 180.6
[M]+ 341.08133 181.6
[M]- 341.08243 181.6
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

patents stripe