CID 452646

Chembl28657

Structural Information

Molecular Formula
C23H50NO2
SMILES
CCCCCCCCCCCCCCCCOCC(C[N+](C)(C)C)OC
InChI
InChI=1S/C23H50NO2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26-22-23(25-5)21-24(2,3)4/h23H,6-22H2,1-5H3/q+1
InChIKey
AWIKXQMXUCFSAM-UHFFFAOYSA-N
Compound name
(3-hexadecoxy-2-methoxypropyl)-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

372.38416 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.39144 205.6
[M+Na]+ 395.37338 205.6
[M-H]- 371.37688 204.6
[M+NH4]+ 390.41798 223.3
[M+K]+ 411.34732 197.8
[M+H-H2O]+ 355.38142 200.7
[M+HCOO]- 417.38236 237.8
[M+CH3COO]- 431.39801 224.2
[M+Na-2H]- 393.35883 206.3
[M]+ 372.38361 214.4
[M]- 372.38471 214.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.