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 183.5
[M+Na]+ 401.08352 190.9
[M-H]- 377.08702 190.5
[M+NH4]+ 396.12812 200.0
[M+K]+ 417.05746 179.6
[M+H-H2O]+ 361.09156 180.4
[M+HCOO]- 423.09250 204.0
[M+CH3COO]- 437.10815 222.4
[M+Na-2H]- 399.06897 187.8
[M]+ 378.09375 205.2
[M]- 378.09485 205.2
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.