CID 20707285

Lexquat amg-beo

Structural Information

Molecular Formula
C30H63N2O3
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(CO)O
InChI
InChI=1S/C30H62N2O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-30(35)31-25-23-26-32(2,3)27-29(34)28-33/h29,33-34H,4-28H2,1-3H3/p+1
InChIKey
ZLZLWSHVEDTMQW-UHFFFAOYSA-O
Compound name
2,3-dihydroxypropyl-[3-(docosanoylamino)propyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

908
Patents

499.48386 Da
Monoisotopic Mass

9.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 500.49114 244.3
[M+Na]+ 522.47308 220.5
[M+NH4]+ 517.51768 215.2
[M+K]+ 538.44702 213.2
[M-H]- 498.47658 203.7
[M+Na-2H]- 520.45853 232.9
[M]+ 499.48331 211.7
[M]- 499.48441 211.7
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