CID 109570

Ethanaminium, 2-hydroxy-n,n-dimethyl-n-(2-((1-oxooctadecyl)amino)ethyl)-, methyl sulfate (salt)

Structural Information

Molecular Formula
C24H51N2O2
SMILES
CCCCCCCCCCCCCCCCCC(=O)NCC[N+](C)(C)CCO
InChI
InChI=1S/C24H50N2O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(28)25-20-21-26(2,3)22-23-27/h27H,4-23H2,1-3H3/p+1
InChIKey
DIHOHHNDJBBNLA-UHFFFAOYSA-O
Compound name
2-hydroxyethyl-dimethyl-[2-(octadecanoylamino)ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

399.39505 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.40233 210.3
[M+Na]+ 422.38427 208.8
[M-H]- 398.38777 226.4
[M+NH4]+ 417.42887 231.9
[M+K]+ 438.35821 199.4
[M+H-H2O]+ 382.39231 205.1
[M+HCOO]- 444.39325 246.0
[M+CH3COO]- 458.40890 227.5
[M+Na-2H]- 420.36972 210.7
[M]+ 399.39450 231.4
[M]- 399.39560 231.4
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