CID 3014946

N,n-dimethyl-n-pentadecylbenzenemethanaminium

Structural Information

Molecular Formula
C24H44N
SMILES
CCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1
InChI
InChI=1S/C24H44N/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25(2,3)23-24-20-17-16-18-21-24/h16-18,20-21H,4-15,19,22-23H2,1-3H3/q+1
InChIKey
RUCNOJUDUJFCBD-UHFFFAOYSA-N
Compound name
benzyl-dimethyl-pentadecylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

67
Patents

346.34738 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.35466 196.3
[M+Na]+ 369.33660 197.2
[M-H]- 345.34010 198.8
[M+NH4]+ 364.38120 210.1
[M+K]+ 385.31054 187.1
[M+H-H2O]+ 329.34464 190.6
[M+HCOO]- 391.34558 216.2
[M+CH3COO]- 405.36123 218.3
[M+Na-2H]- 367.32205 199.9
[M]+ 346.34683 200.7
[M]- 346.34793 200.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe