CID 3071636

138112-84-2

Structural Information

Molecular Formula
C15H16BrNO2
SMILES
COC1=CC2=C(C=CC=C2CCNC(=O)CBr)C=C1
InChI
InChI=1S/C15H16BrNO2/c1-19-13-6-5-11-3-2-4-12(14(11)9-13)7-8-17-15(18)10-16/h2-6,9H,7-8,10H2,1H3,(H,17,18)
InChIKey
HRZANPMSVAGALW-UHFFFAOYSA-N
Compound name
2-bromo-N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6
Patents

321.03644 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.04372 166.3
[M+Na]+ 344.02566 176.0
[M-H]- 320.02916 172.9
[M+NH4]+ 339.07026 185.1
[M+K]+ 359.99960 164.3
[M+H-H2O]+ 304.03370 164.9
[M+HCOO]- 366.03464 186.6
[M+CH3COO]- 380.05029 206.2
[M+Na-2H]- 342.01111 172.8
[M]+ 321.03589 186.8
[M]- 321.03699 186.8
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