CID 197842

Adiphenine methyl bromide

Structural Information

Molecular Formula
C21H28NO2
SMILES
CC[N+](C)(CC)CCOC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C21H28NO2/c1-4-22(3,5-2)16-17-24-21(23)20(18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,20H,4-5,16-17H2,1-3H3/q+1
InChIKey
KKSJQQXZULJWIM-UHFFFAOYSA-N
Compound name
2-(2,2-diphenylacetyl)oxyethyl-diethyl-methylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

44
Patents

326.212 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.21928 179.9
[M+Na]+ 349.20122 194.0
[M+NH4]+ 344.24582 188.8
[M+K]+ 365.17516 186.8
[M-H]- 325.20472 186.2
[M+Na-2H]- 347.18667 189.6
[M]+ 326.21145 184.2
[M]- 326.21255 184.2
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.