CID 54391252

141890-30-4

Structural Information

Molecular Formula
C24H52N3O3
SMILES
CCCCCCCCCCCCCC(=O)NCCN(CCO)CC(C[N+](C)(C)C)O
InChI
InChI=1S/C24H51N3O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-24(30)25-17-18-26(19-20-28)21-23(29)22-27(2,3)4/h23,28-29H,5-22H2,1-4H3/p+1
InChIKey
VGUFZJDCQJGRKD-UHFFFAOYSA-O
Compound name
[2-hydroxy-3-[2-hydroxyethyl-[2-(tetradecanoylamino)ethyl]amino]propyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

430.40088 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.40816 241.1
[M+Na]+ 453.39010 250.2
[M-H]- 429.39360 238.8
[M+NH4]+ 448.43470 241.4
[M+K]+ 469.36404 244.2
[M+H-H2O]+ 413.39814 233.5
[M+HCOO]- 475.39908 245.9
[M+CH3COO]- 489.41473 235.6
[M+Na-2H]- 451.37555 228.0
[M]+ 430.40033 235.1
[M]- 430.40143 235.1
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