CID 56843921

Piperidinium, 1-methyl-1-(1-methyl-2-(4-(3-(1-methylpiperidinio)-1-oxopropyl)-1-piperazinyl)-2-oxoethyl)-, diiodide

Structural Information

Molecular Formula
C22H41N4O2
SMILES
CC(C(=O)N1CCN(CC1)C(=O)CCC2CCCCN2C)[N+]3(CCCCC3)C
InChI
InChI=1S/C22H41N4O2/c1-19(26(3)17-7-4-8-18-26)22(28)25-15-13-24(14-16-25)21(27)11-10-20-9-5-6-12-23(20)2/h19-20H,4-18H2,1-3H3/q+1
InChIKey
XCGWLPYLHPCMSS-UHFFFAOYSA-N
Compound name
2-(1-methylpiperidin-1-ium-1-yl)-1-[4-[3-(1-methylpiperidin-2-yl)propanoyl]piperazin-1-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.32294 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.33022 202.1
[M+Na]+ 416.31216 199.4
[M-H]- 392.31566 202.7
[M+NH4]+ 411.35676 208.1
[M+K]+ 432.28610 190.5
[M+H-H2O]+ 376.32020 192.4
[M+HCOO]- 438.32114 203.9
[M+CH3COO]- 452.33679 214.4
[M+Na-2H]- 414.29761 198.2
[M]+ 393.32239 189.1
[M]- 393.32349 189.1
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.