CID 457333

N-(5-bromopyrimidin-2-yl)-3-hydroxy-7-methoxy-2-naphthamide

Structural Information

Molecular Formula
C16H12BrN3O3
SMILES
COC1=CC2=CC(=C(C=C2C=C1)O)C(=O)NC3=NC=C(C=N3)Br
InChI
InChI=1S/C16H12BrN3O3/c1-23-12-3-2-9-6-14(21)13(5-10(9)4-12)15(22)20-16-18-7-11(17)8-19-16/h2-8,21H,1H3,(H,18,19,20,22)
InChIKey
CERSQGUERLBIMP-UHFFFAOYSA-N
Compound name
N-(5-bromopyrimidin-2-yl)-3-hydroxy-7-methoxynaphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.0062 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.01348 174.4
[M+Na]+ 395.99542 185.3
[M-H]- 371.99892 180.9
[M+NH4]+ 391.04002 187.6
[M+K]+ 411.96936 173.1
[M+H-H2O]+ 356.00346 171.3
[M+HCOO]- 418.00440 191.8
[M+CH3COO]- 432.02005 212.4
[M+Na-2H]- 393.98087 181.4
[M]+ 373.00565 194.1
[M]- 373.00675 194.1
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.