CID 21156095

Dtxsid60888341

Structural Information

Molecular Formula
C22H46N2O3
SMILES
CCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(CCO)[O-]
InChI
InChI=1S/C22H46N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-22(26)23-18-16-19-24(2,27)20-21-25/h25H,3-21H2,1-2H3,(H,23,26)
InChIKey
ZPOZDECDZILOJC-UHFFFAOYSA-N
Compound name
3-(hexadecanoylamino)-N-(2-hydroxyethyl)-N-methylpropan-1-amine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.35083 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.35811 228.6
[M+Na]+ 409.34005 234.3
[M-H]- 385.34355 219.6
[M+NH4]+ 404.38465 225.7
[M+K]+ 425.31399 232.0
[M+H-H2O]+ 369.34809 203.3
[M+HCOO]- 431.34903 238.9
[M+CH3COO]- 445.36468 220.3
[M+Na-2H]- 407.32550 214.8
[M]+ 386.35028 223.5
[M]- 386.35138 223.5
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