CID 110299

68443-92-5

Structural Information

Molecular Formula
C26H55N2O2
SMILES
CCCCCCCCCCCCCCCCCC(=O)NCC[N+](CC)(CC)CCO
InChI
InChI=1S/C26H54N2O2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26(30)27-22-23-28(5-2,6-3)24-25-29/h29H,4-25H2,1-3H3/p+1
InChIKey
ROSFCHPAECFNTJ-UHFFFAOYSA-O
Compound name
diethyl-(2-hydroxyethyl)-[2-(octadecanoylamino)ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

427.42636 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.43364 241.8
[M+Na]+ 450.41558 249.2
[M-H]- 426.41908 232.9
[M+NH4]+ 445.46018 239.1
[M+K]+ 466.38952 243.9
[M+H-H2O]+ 410.42362 213.5
[M+HCOO]- 472.42456 252.5
[M+CH3COO]- 486.44021 233.4
[M+Na-2H]- 448.40103 218.4
[M]+ 427.42581 238.4
[M]- 427.42691 238.4
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

No patent data available for this compound.