CID 91923

55910-01-5

Structural Information

Molecular Formula
C25H46NO2
SMILES
CCCCCCCCCCCCCC[N+](CCO)(CCO)CC1=CC=CC=C1
InChI
InChI=1S/C25H46NO2/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/h13-15,17-18,27-28H,2-12,16,19-24H2,1H3/q+1
InChIKey
UYGBFLFOFRPQJM-UHFFFAOYSA-N
Compound name
benzyl-bis(2-hydroxyethyl)-tetradecylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.35284 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.36012 207.0
[M+Na]+ 415.34206 206.3
[M-H]- 391.34556 206.3
[M+NH4]+ 410.38666 217.2
[M+K]+ 431.31600 195.2
[M+H-H2O]+ 375.35010 201.2
[M+HCOO]- 437.35104 224.0
[M+CH3COO]- 451.36669 219.3
[M+Na-2H]- 413.32751 209.5
[M]+ 392.35229 210.7
[M]- 392.35339 210.7
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.