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

543
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 170.6
[M+Na]+ 307.19067 174.4
[M-H]- 283.19417 177.8
[M+NH4]+ 302.23527 186.2
[M+K]+ 323.16461 165.9
[M+H-H2O]+ 267.19871 165.0
[M+HCOO]- 329.19965 192.9
[M+CH3COO]- 343.21530 201.2
[M+Na-2H]- 305.17612 178.3
[M]+ 284.20090 171.2
[M]- 284.20200 171.2
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

patents stripe