CID 72941558

Unii-32ii08o72a

Structural Information

Molecular Formula
C25H54NO4
SMILES
CCCCCCCCCCCCCCCCCC[N+](CCO)(CCO)CC(CO)O
InChI
InChI=1S/C25H54NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26(19-21-27,20-22-28)23-25(30)24-29/h25,27-30H,2-24H2,1H3/q+1
InChIKey
QFRFRGNGOUPJFZ-UHFFFAOYSA-N
Compound name
2,3-dihydroxypropyl-bis(2-hydroxyethyl)-octadecylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

12
Patents

432.40527 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.41255 230.1
[M+Na]+ 455.39449 232.2
[M-H]- 431.39799 218.8
[M+NH4]+ 450.43909 222.8
[M+K]+ 471.36843 228.0
[M+H-H2O]+ 415.40253 213.3
[M+HCOO]- 477.40347 237.5
[M+CH3COO]- 491.41912 223.1
[M+Na-2H]- 453.37994 213.8
[M]+ 432.40472 225.4
[M]- 432.40582 225.4
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.