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 215.8
[M+Na]+ 443.37338 214.3
[M-H]- 419.37688 214.7
[M+NH4]+ 438.41798 224.9
[M+K]+ 459.34732 202.7
[M+H-H2O]+ 403.38142 209.6
[M+HCOO]- 465.38236 232.1
[M+CH3COO]- 479.39801 225.2
[M+Na-2H]- 441.35883 217.3
[M]+ 420.38361 220.2
[M]- 420.38471 220.2
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