CID 106132

67907-24-8

Structural Information

Molecular Formula
C25H44NO2
SMILES
C=CCCCCCCCCCCCC[N+](CCO)(CCO)CC1=CC=CC=C1
InChI
InChI=1S/C25H44NO2/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-26(20-22-27,21-23-28)24-25-17-14-13-15-18-25/h2,13-15,17-18,27-28H,1,3-12,16,19-24H2/q+1
InChIKey
VHFAWCKEZULMQY-UHFFFAOYSA-N
Compound name
benzyl-bis(2-hydroxyethyl)-tetradec-13-enylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.33722 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.34450 204.2
[M+Na]+ 413.32644 214.0
[M+NH4]+ 408.37104 210.6
[M+K]+ 429.30038 205.3
[M-H]- 389.32994 206.7
[M+Na-2H]- 411.31189 207.9
[M]+ 390.33667 206.5
[M]- 390.33777 206.5
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

No patent data available for this compound.