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
2
Annotation Hits

0
References

20
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 205.4
[M+Na]+ 448.39992 205.5
[M-H]- 424.40342 209.0
[M+NH4]+ 443.44452 240.6
[M+K]+ 464.37386 196.9
[M+H-H2O]+ 408.40796 199.3
[M+HCOO]- 470.40890 254.7
[M+CH3COO]- 484.42455 236.0
[M+Na-2H]- 446.38537 206.7
[M]+ 425.41015 214.5
[M]- 425.41125 214.5
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