CID 3053445

69928-43-4

Structural Information

Molecular Formula
C17H30N2O
SMILES
CCCC[N+]1(CC[N+](CC1)(CC2=CC=CC=C2)OC)C
InChI
InChI=1S/C17H30N2O/c1-4-5-11-18(2)12-14-19(20-3,15-13-18)16-17-9-7-6-8-10-17/h6-10H,4-5,11-16H2,1-3H3/q+2
InChIKey
DLODGSXHQHEQOV-UHFFFAOYSA-N
Compound name
1-benzyl-4-butyl-1-methoxy-4-methylpiperazine-1,4-diium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.2358 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.24308 168.1
[M+Na]+ 301.22502 172.6
[M-H]- 277.22852 171.3
[M+NH4]+ 296.26962 184.7
[M+K]+ 317.19896 158.6
[M+H-H2O]+ 261.23306 164.8
[M+HCOO]- 323.23400 183.6
[M+CH3COO]- 337.24965 187.8
[M+Na-2H]- 299.21047 177.2
[M]+ 278.23525 164.1
[M]- 278.23635 164.1
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.