CID 103274

65151-47-5

Structural Information

Molecular Formula
C27H50NO2
SMILES
CCCCCCCCCCCCCCCC[N+](CCO)(CCO)CC1=CC=CC=C1
InChI
InChI=1S/C27H50NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-28(22-24-29,23-25-30)26-27-19-16-15-17-20-27/h15-17,19-20,29-30H,2-14,18,21-26H2,1H3/q+1
InChIKey
ULWKEXAXJMVREQ-UHFFFAOYSA-N
Compound name
benzyl-hexadecyl-bis(2-hydroxyethyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

420.38416 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.39144 214.0
[M+Na]+ 443.37338 223.4
[M+NH4]+ 438.41798 220.3
[M+K]+ 459.34732 214.3
[M-H]- 419.37688 216.7
[M+Na-2H]- 441.35883 217.3
[M]+ 420.38361 216.4
[M]- 420.38471 216.4
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