CID 3014948

Schembl8385144

Structural Information

Molecular Formula
C26H48N
SMILES
CCCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1
InChI
InChI=1S/C26H48N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-27(2,3)25-26-22-19-18-20-23-26/h18-20,22-23H,4-17,21,24-25H2,1-3H3/q+1
InChIKey
NVTGIHULGRHJOP-UHFFFAOYSA-N
Compound name
benzyl-heptadecyl-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

17
Patents

374.37866 Da
Monoisotopic Mass

10.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.38594 205.5
[M+Na]+ 397.36788 205.5
[M-H]- 373.37138 207.5
[M+NH4]+ 392.41248 218.0
[M+K]+ 413.34182 194.8
[M+H-H2O]+ 357.37592 199.3
[M+HCOO]- 419.37686 224.7
[M+CH3COO]- 433.39251 224.2
[M+Na-2H]- 395.35333 208.0
[M]+ 374.37811 210.5
[M]- 374.37921 210.5
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