CID 211433

23111-76-4

Structural Information

Molecular Formula
C24H36N2
SMILES
CC(CC1=CC=CC=C1)[N+]2(CC[N+](CC2)(C)C(C)CC3=CC=CC=C3)C
InChI
InChI=1S/C24H36N2/c1-21(19-23-11-7-5-8-12-23)25(3)15-17-26(4,18-16-25)22(2)20-24-13-9-6-10-14-24/h5-14,21-22H,15-20H2,1-4H3/q+2
InChIKey
IDKWBVNMDAKYES-UHFFFAOYSA-N
Compound name
1,4-dimethyl-1,4-bis(1-phenylpropan-2-yl)piperazine-1,4-diium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.28784 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.29512 191.8
[M+Na]+ 375.27706 193.8
[M-H]- 351.28056 197.2
[M+NH4]+ 370.32166 204.5
[M+K]+ 391.25100 177.8
[M+H-H2O]+ 335.28510 186.0
[M+HCOO]- 397.28604 203.8
[M+CH3COO]- 411.30169 203.6
[M+Na-2H]- 373.26251 196.7
[M]+ 352.28729 184.8
[M]- 352.28839 184.8
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.