CID 53216853

N,n-diethyl 4-bromonaphthamide

Structural Information

Molecular Formula
C15H16BrNO
SMILES
CCN(CC)C(=O)C1=CC=C(C2=CC=CC=C21)Br
InChI
InChI=1S/C15H16BrNO/c1-3-17(4-2)15(18)13-9-10-14(16)12-8-6-5-7-11(12)13/h5-10H,3-4H2,1-2H3
InChIKey
FVXQMTWRIJFMFB-UHFFFAOYSA-N
Compound name
4-bromo-N,N-diethylnaphthalene-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.04153 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.04881 163.6
[M+Na]+ 328.03075 173.7
[M-H]- 304.03425 171.7
[M+NH4]+ 323.07535 183.7
[M+K]+ 344.00469 162.7
[M+H-H2O]+ 288.03879 162.4
[M+HCOO]- 350.03973 184.3
[M+CH3COO]- 364.05538 207.5
[M+Na-2H]- 326.01620 169.4
[M]+ 305.04098 184.0
[M]- 305.04208 184.0
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.