CID 139033136

Lexquat amg-is

Structural Information

Molecular Formula
C26H55N2O3
SMILES
CC(C)CCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(CO)O
InChI
InChI=1S/C26H54N2O3/c1-24(2)18-15-13-11-9-7-5-6-8-10-12-14-16-19-26(31)27-20-17-21-28(3,4)22-25(30)23-29/h24-25,29-30H,5-23H2,1-4H3/p+1
InChIKey
NPJHGEQDNYXKGL-UHFFFAOYSA-O
Compound name
2,3-dihydroxypropyl-dimethyl-[3-(16-methylheptadecanoylamino)propyl]azanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

443.42126 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.42854 238.1
[M+Na]+ 466.41048 245.0
[M-H]- 442.41398 232.6
[M+NH4]+ 461.45508 237.1
[M+K]+ 482.38442 240.9
[M+H-H2O]+ 426.41852 230.3
[M+HCOO]- 488.41946 242.6
[M+CH3COO]- 502.43511 233.9
[M+Na-2H]- 464.39593 224.3
[M]+ 443.42071 233.3
[M]- 443.42181 233.3
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.