CID 3024334

Unii-a54yhu35pp

Structural Information

Molecular Formula
C26H53N2O2
SMILES
CC(C)CCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC1CO1
InChI
InChI=1S/C26H52N2O2/c1-24(2)18-15-13-11-9-7-5-6-8-10-12-14-16-19-26(29)27-20-17-21-28(3,4)22-25-23-30-25/h24-25H,5-23H2,1-4H3/p+1
InChIKey
GJWGWFGHNDBFIY-UHFFFAOYSA-O
Compound name
dimethyl-[3-(16-methylheptadecanoylamino)propyl]-(oxiran-2-ylmethyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

425.4107 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.41798 203.9
[M+Na]+ 448.39992 212.1
[M+NH4]+ 443.44452 210.0
[M+K]+ 464.37386 207.4
[M-H]- 424.40342 213.7
[M+Na-2H]- 446.38537 207.5
[M]+ 425.41015 209.0
[M]- 425.41125 209.0
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