CID 59529

102571-38-0

Structural Information

Molecular Formula
C24H44NO2
SMILES
CCCCCCCCCCCCC[N+](CCO)(CCO)CC1=CC=CC=C1
InChI
InChI=1S/C24H44NO2/c1-2-3-4-5-6-7-8-9-10-11-15-18-25(19-21-26,20-22-27)23-24-16-13-12-14-17-24/h12-14,16-17,26-27H,2-11,15,18-23H2,1H3/q+1
InChIKey
KXPLTZMTZJOMKE-UHFFFAOYSA-N
Compound name
benzyl-bis(2-hydroxyethyl)-tridecylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

378.33722 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.34450 202.5
[M+Na]+ 401.32644 202.3
[M-H]- 377.32994 202.1
[M+NH4]+ 396.37104 213.3
[M+K]+ 417.30038 191.4
[M+H-H2O]+ 361.33448 196.9
[M+HCOO]- 423.33542 219.9
[M+CH3COO]- 437.35107 216.4
[M+Na-2H]- 399.31189 205.6
[M]+ 378.33667 205.9
[M]- 378.33777 205.9
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