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]+ 331.31078 187.8
[M+Na]+ 353.29272 188.2
[M-H]- 329.29622 192.2
[M+NH4]+ 348.33732 201.3
[M+K]+ 369.26666 172.4
[M+H-H2O]+ 313.30076 181.7
[M+HCOO]- 375.30170 198.3
[M+CH3COO]- 389.31735 197.7
[M+Na-2H]- 351.27817 192.7
[M]+ 330.30295 177.0
[M]- 330.30405 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.