CID 10111330

28679-24-5

Structural Information

Molecular Formula
C25H46N
SMILES
CCCCCCCCCCCCC(C1=CC=CC=C1)[N+](CC)(CC)CC
InChI
InChI=1S/C25H46N/c1-5-9-10-11-12-13-14-15-16-20-23-25(24-21-18-17-19-22-24)26(6-2,7-3)8-4/h17-19,21-22,25H,5-16,20,23H2,1-4H3/q+1
InChIKey
INEUTTFARBFMGL-UHFFFAOYSA-N
Compound name
triethyl(1-phenyltridecyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1104
Patents

360.36304 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.37032 199.0
[M+Na]+ 383.35226 210.6
[M+NH4]+ 378.39686 207.5
[M+K]+ 399.32620 201.0
[M-H]- 359.35576 203.7
[M+Na-2H]- 381.33771 204.6
[M]+ 360.36249 202.5
[M]- 360.36359 202.5
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