CID 211435

23111-77-5

Structural Information

Molecular Formula
C28H40N2
SMILES
CC(CC1=CC=CC=C1)[N+]2(CC[N+](CC2)(CC=C)C(C)CC3=CC=CC=C3)CC=C
InChI
InChI=1S/C28H40N2/c1-5-17-29(25(3)23-27-13-9-7-10-14-27)19-21-30(18-6-2,22-20-29)26(4)24-28-15-11-8-12-16-28/h5-16,25-26H,1-2,17-24H2,3-4H3/q+2
InChIKey
LTCOXELCMNSRES-UHFFFAOYSA-N
Compound name
1,4-bis(1-phenylpropan-2-yl)-1,4-bis(prop-2-enyl)piperazine-1,4-diium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.31915 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.32643 207.5
[M+Na]+ 427.30837 208.2
[M-H]- 403.31187 212.0
[M+NH4]+ 422.35297 217.8
[M+K]+ 443.28231 190.2
[M+H-H2O]+ 387.31641 200.9
[M+HCOO]- 449.31735 218.4
[M+CH3COO]- 463.33300 213.1
[M+Na-2H]- 425.29382 210.2
[M]+ 404.31860 200.3
[M]- 404.31970 200.3
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.