CID 71060

2-naphthalenecarboxamide, 7-bromo-3-hydroxy-n-(2-methoxyphenyl)-

Structural Information

Molecular Formula
C18H14BrNO3
SMILES
COC1=CC=CC=C1NC(=O)C2=C(C=C3C=CC(=CC3=C2)Br)O
InChI
InChI=1S/C18H14BrNO3/c1-23-17-5-3-2-4-15(17)20-18(22)14-9-12-8-13(19)7-6-11(12)10-16(14)21/h2-10,21H,1H3,(H,20,22)
InChIKey
JIEINYQEXWLMCU-UHFFFAOYSA-N
Compound name
7-bromo-3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

393
Patents

371.01572 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.02300 177.6
[M+Na]+ 394.00494 187.8
[M-H]- 370.00844 186.4
[M+NH4]+ 389.04954 193.5
[M+K]+ 409.97888 175.7
[M+H-H2O]+ 354.01298 175.5
[M+HCOO]- 416.01392 196.8
[M+CH3COO]- 430.02957 212.9
[M+Na-2H]- 391.99039 183.0
[M]+ 371.01517 196.9
[M]- 371.01627 196.9
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