CID 24842952

102207-40-9

Structural Information

Molecular Formula
C22H38N2
SMILES
CC[N+]1(CCCCC1)CC2=CC=C(C=C2)C[N+]3(CCCCC3)CC
InChI
InChI=1S/C22H38N2/c1-3-23(15-7-5-8-16-23)19-21-11-13-22(14-12-21)20-24(4-2)17-9-6-10-18-24/h11-14H,3-10,15-20H2,1-2H3/q+2
InChIKey
QFJISXFMRBDDKL-UHFFFAOYSA-N
Compound name
1-ethyl-1-[[4-[(1-ethylpiperidin-1-ium-1-yl)methyl]phenyl]methyl]piperidin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.3035 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.310776 187.8
[M+Na]+ 353.292718 188.2
[M-H]- 329.296224 192.2
[M+NH4]+ 348.337323 201.3
[M+K]+ 369.266658 172.4
[M+H-H2O]+ 313.300760 181.7
[M+HCOO]- 375.301701 198.3
[M+CH3COO]- 389.317351 197.7
[M+Na-2H]- 351.278166 192.7
[M]+ 330.30295142 177.0
[M]- 330.30404858 177.0
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.