CID 131635354

Je7y1b9mgp

Structural Information

Molecular Formula
C28H55N2O3
SMILES
CC(C)CCCCCCCCCCCCCCC(=O)NCCC[N+]1(CCOCC1)CC2CO2
InChI
InChI=1S/C28H54N2O3/c1-26(2)16-13-11-9-7-5-3-4-6-8-10-12-14-17-28(31)29-18-15-19-30(24-27-25-33-27)20-22-32-23-21-30/h26-27H,3-25H2,1-2H3/p+1
InChIKey
REJNORKERAQTHF-UHFFFAOYSA-O
Compound name
16-methyl-N-[3-[4-(oxiran-2-ylmethyl)morpholin-4-ium-4-yl]propyl]heptadecanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

16
Patents

467.42126 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.42854 217.0
[M+Na]+ 490.41048 215.1
[M-H]- 466.41398 220.3
[M+NH4]+ 485.45508 218.2
[M+K]+ 506.38442 207.7
[M+H-H2O]+ 450.41852 209.9
[M+HCOO]- 512.41946 227.6
[M+CH3COO]- 526.43511 234.8
[M+Na-2H]- 488.39593 217.1
[M]+ 467.42071 222.3
[M]- 467.42181 222.3
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.