CID 203757

S 113

Structural Information

Molecular Formula
C18H23BrN2O2
SMILES
CCN(CC)CCNC(=O)COC1=CC2=C(C=C1)C=C(C=C2)Br
InChI
InChI=1S/C18H23BrN2O2/c1-3-21(4-2)10-9-20-18(22)13-23-17-8-6-14-11-16(19)7-5-15(14)12-17/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,20,22)
InChIKey
BRRNBPRBCKRZJN-UHFFFAOYSA-N
Compound name
2-(6-bromonaphthalen-2-yl)oxy-N-[2-(diethylamino)ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.0943 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.10158 180.1
[M+Na]+ 401.08352 181.8
[M+NH4]+ 396.12812 183.9
[M+K]+ 417.05746 180.6
[M-H]- 377.08702 181.8
[M+Na-2H]- 399.06897 182.2
[M]+ 378.09375 179.5
[M]- 378.09485 179.5
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.