CID 103276

65151-48-6

Structural Information

Molecular Formula
C29H54NO2
SMILES
CCCCCCCCCCCCCCCC[N+](CC1=CC=CC=C1)(CC(C)O)CC(C)O
InChI
InChI=1S/C29H54NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-30(24-27(2)31,25-28(3)32)26-29-21-18-17-19-22-29/h17-19,21-22,27-28,31-32H,4-16,20,23-26H2,1-3H3/q+1
InChIKey
HVFRJJDZWVSUIB-UHFFFAOYSA-N
Compound name
benzyl-hexadecyl-bis(2-hydroxypropyl)azanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

448.41547 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.42275 225.6
[M+Na]+ 471.40469 222.7
[M-H]- 447.40819 224.3
[M+NH4]+ 466.44929 233.4
[M+K]+ 487.37863 211.7
[M+H-H2O]+ 431.41273 219.3
[M+HCOO]- 493.41367 239.2
[M+CH3COO]- 507.42932 232.4
[M+Na-2H]- 469.39014 223.6
[M]+ 448.41492 229.4
[M]- 448.41602 229.4
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