CID 103106

65059-94-1

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

9
Patents

420.38416 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.39144 213.7
[M+Na]+ 443.37338 222.5
[M+NH4]+ 438.41798 219.8
[M+K]+ 459.34732 215.0
[M-H]- 419.37688 216.0
[M+Na-2H]- 441.35883 216.4
[M]+ 420.38361 215.8
[M]- 420.38471 215.8
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