CID 210520

1-(beta-(dodecycloxy)-p-isopropylphenethyl)pyridinium bromide

Structural Information

Molecular Formula
C28H44NO
SMILES
CCCCCCCCCCCCOC(C[N+]1=CC=CC=C1)C2=CC=C(C=C2)C(C)C
InChI
InChI=1S/C28H44NO/c1-4-5-6-7-8-9-10-11-12-16-23-30-28(24-29-21-14-13-15-22-29)27-19-17-26(18-20-27)25(2)3/h13-15,17-22,25,28H,4-12,16,23-24H2,1-3H3/q+1
InChIKey
QMBFRZKOIOBFEQ-UHFFFAOYSA-N
Compound name
1-[2-dodecoxy-2-(4-propan-2-ylphenyl)ethyl]pyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.3423 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.34958 210.5
[M+Na]+ 433.33152 224.6
[M+NH4]+ 428.37612 218.3
[M+K]+ 449.30546 214.6
[M-H]- 409.33502 216.2
[M+Na-2H]- 431.31697 217.7
[M]+ 410.34175 214.6
[M]- 410.34285 214.6
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.