CID 1301094

Vu0405601

Structural Information

Molecular Formula
C17H13BrN2O2
SMILES
C1=CC=C2C(=C1)C=CC(=C2Br)OCC(=O)NC3=CN=CC=C3
InChI
InChI=1S/C17H13BrN2O2/c18-17-14-6-2-1-4-12(14)7-8-15(17)22-11-16(21)20-13-5-3-9-19-10-13/h1-10H,11H2,(H,20,21)
InChIKey
WLLRAGBPCSOJNH-UHFFFAOYSA-N
Compound name
2-(1-bromonaphthalen-2-yl)oxy-N-pyridin-3-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

0
Patents

356.01605 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.023326 172.7
[M+Na]+ 379.005268 182.4
[M-H]- 355.008774 181.0
[M+NH4]+ 374.049873 188.2
[M+K]+ 394.979208 170.3
[M+H-H2O]+ 339.013310 170.0
[M+HCOO]- 401.014251 192.4
[M+CH3COO]- 415.029901 185.2
[M+Na-2H]- 376.990716 180.7
[M]+ 356.01550142 191.9
[M]- 356.01659858 191.9
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