CID 66718

2-naphthalenecarboxamide, n-(4-chloro-2-methylphenyl)-3-hydroxy-

Structural Information

Molecular Formula
C18H14ClNO2
SMILES
CC1=C(C=CC(=C1)Cl)NC(=O)C2=CC3=CC=CC=C3C=C2O
InChI
InChI=1S/C18H14ClNO2/c1-11-8-14(19)6-7-16(11)20-18(22)15-9-12-4-2-3-5-13(12)10-17(15)21/h2-10,21H,1H3,(H,20,22)
InChIKey
PSRNXESQSJEQMN-UHFFFAOYSA-N
Compound name
N-(4-chloro-2-methylphenyl)-3-hydroxynaphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

169
Patents

311.07132 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.07860 169.6
[M+Na]+ 334.06054 179.0
[M-H]- 310.06404 176.4
[M+NH4]+ 329.10514 185.5
[M+K]+ 350.03448 172.3
[M+H-H2O]+ 294.06858 162.8
[M+HCOO]- 356.06952 187.0
[M+CH3COO]- 370.08517 181.2
[M+Na-2H]- 332.04599 174.1
[M]+ 311.07077 171.8
[M]- 311.07187 171.8
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

patents stripe