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
3
Annotation Hits

0
References

916
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 254.0
[M+Na]+ 522.47308 259.6
[M-H]- 498.47658 245.4
[M+NH4]+ 517.51768 251.2
[M+K]+ 538.44702 256.6
[M+H-H2O]+ 482.48112 245.0
[M+HCOO]- 544.48206 259.2
[M+CH3COO]- 558.49771 244.8
[M+Na-2H]- 520.45853 237.6
[M]+ 499.48331 248.6
[M]- 499.48441 248.6
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