CID 71954

Bibenzonium

Structural Information

Molecular Formula
C19H26NO
SMILES
C[N+](C)(C)CCOC(CC1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C19H26NO/c1-20(2,3)14-15-21-19(18-12-8-5-9-13-18)16-17-10-6-4-7-11-17/h4-13,19H,14-16H2,1-3H3/q+1
InChIKey
LBRNZQRZDLLIHL-UHFFFAOYSA-N
Compound name
2-(1,2-diphenylethoxy)ethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

529
Patents

284.20145 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.20873 169.0
[M+Na]+ 307.19067 184.4
[M+NH4]+ 302.23527 179.3
[M+K]+ 323.16461 176.4
[M-H]- 283.19417 176.4
[M+Na-2H]- 305.17612 180.1
[M]+ 284.20090 174.0
[M]- 284.20200 174.0
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

patents stripe