CID 3053440

1,4-bis(naphthylmethyl)-1,4-diethylpiperazinium dichloride

Structural Information

Molecular Formula
C30H36N2
SMILES
CC[N+]1(CC[N+](CC1)(CC)CC2=CC=CC3=CC=CC=C32)CC4=CC=CC5=CC=CC=C54
InChI
InChI=1S/C30H36N2/c1-3-31(23-27-15-9-13-25-11-5-7-17-29(25)27)19-21-32(4-2,22-20-31)24-28-16-10-14-26-12-6-8-18-30(26)28/h5-18H,3-4,19-24H2,1-2H3/q+2
InChIKey
OTRHLQKUAKABAO-UHFFFAOYSA-N
Compound name
1,4-diethyl-1,4-bis(naphthalen-1-ylmethyl)piperazine-1,4-diium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.28784 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.29512 208.2
[M+Na]+ 447.27706 230.5
[M+NH4]+ 442.32166 223.2
[M+K]+ 463.25100 214.3
[M-H]- 423.28056 220.4
[M+Na-2H]- 445.26251 223.2
[M]+ 424.28729 216.5
[M]- 424.28839 216.5
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

No patent data available for this compound.