CID 77955

2-naphthalenecarboxamide, n-(4-chloro-2,5-dimethoxyphenyl)-3-hydroxy-

Structural Information

Molecular Formula
C19H16ClNO4
SMILES
COC1=CC(=C(C=C1NC(=O)C2=CC3=CC=CC=C3C=C2O)OC)Cl
InChI
InChI=1S/C19H16ClNO4/c1-24-17-10-15(18(25-2)9-14(17)20)21-19(23)13-7-11-5-3-4-6-12(11)8-16(13)22/h3-10,22H,1-2H3,(H,21,23)
InChIKey
QIHKTBRNOLQDGQ-UHFFFAOYSA-N
Compound name
N-(4-chloro-2,5-dimethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

170
Patents

357.07678 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.08406 179.8
[M+Na]+ 380.06600 189.3
[M-H]- 356.06950 186.8
[M+NH4]+ 375.11060 194.0
[M+K]+ 396.03994 184.0
[M+H-H2O]+ 340.07404 172.5
[M+HCOO]- 402.07498 197.2
[M+CH3COO]- 416.09063 214.7
[M+Na-2H]- 378.05145 183.4
[M]+ 357.07623 185.6
[M]- 357.07733 185.6
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