CID 14420879

Unii-x2mah5i076

Structural Information

Molecular Formula
C22H47N2O3
SMILES
CCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(CO)O
InChI
InChI=1S/C22H46N2O3/c1-4-5-6-7-8-9-10-11-12-13-14-16-22(27)23-17-15-18-24(2,3)19-21(26)20-25/h21,25-26H,4-20H2,1-3H3/p+1
InChIKey
ZVVUUQCWOXFVGD-UHFFFAOYSA-O
Compound name
2,3-dihydroxypropyl-dimethyl-[3-(tetradecanoylamino)propyl]azanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

387.35867 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.36595 204.3
[M+Na]+ 410.34789 202.9
[M-H]- 386.35139 219.8
[M+NH4]+ 405.39249 222.9
[M+K]+ 426.32183 194.2
[M+H-H2O]+ 370.35593 199.6
[M+HCOO]- 432.35687 233.7
[M+CH3COO]- 446.37252 221.5
[M+Na-2H]- 408.33334 204.2
[M]+ 387.35812 221.0
[M]- 387.35922 221.0
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

No patent data available for this compound.