CID 45641

63951-14-4

Structural Information

Molecular Formula
C24H46N2
SMILES
CC[N+](CC)(CC)CCCCCCC1=CC=C(C=C1)[N+](CC)(CC)CC
InChI
InChI=1S/C24H46N2/c1-7-25(8-2,9-3)22-16-14-13-15-17-23-18-20-24(21-19-23)26(10-4,11-5)12-6/h18-21H,7-17,22H2,1-6H3/q+2
InChIKey
BIKSLAGOFWNTAO-UHFFFAOYSA-N
Compound name
triethyl-[4-[6-(triethylazaniumyl)hexyl]phenyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.3661 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.37338 195.6
[M+Na]+ 385.35532 197.4
[M-H]- 361.35882 200.3
[M+NH4]+ 380.39992 209.4
[M+K]+ 401.32926 183.2
[M+H-H2O]+ 345.36336 193.1
[M+HCOO]- 407.36430 215.7
[M+CH3COO]- 421.37995 221.2
[M+Na-2H]- 383.34077 203.0
[M]+ 362.36555 199.2
[M]- 362.36665 199.2
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

No patent data available for this compound.