CID 3065244

Piperidinium, 1,1'-(4,6-dimethyl-m-phenylenebis(iminocarbonylmethylene))bis(1-methyl-, diiodide

Structural Information

Molecular Formula
C24H40N4O2
SMILES
CC1=CC(=C(C=C1NC(=O)C[N+]2(CCCCC2)C)NC(=O)C[N+]3(CCCCC3)C)C
InChI
InChI=1S/C24H38N4O2/c1-19-15-20(2)22(26-24(30)18-28(4)13-9-6-10-14-28)16-21(19)25-23(29)17-27(3)11-7-5-8-12-27/h15-16H,5-14,17-18H2,1-4H3/p+2
InChIKey
GSPNJFFRBFRXQE-UHFFFAOYSA-P
Compound name
N-[2,4-dimethyl-5-[[2-(1-methylpiperidin-1-ium-1-yl)acetyl]amino]phenyl]-2-(1-methylpiperidin-1-ium-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.31512 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.32240 201.4
[M+Na]+ 439.30434 201.0
[M-H]- 415.30784 206.2
[M+NH4]+ 434.34894 211.1
[M+K]+ 455.27828 185.8
[M+H-H2O]+ 399.31238 196.3
[M+HCOO]- 461.31332 212.0
[M+CH3COO]- 475.32897 216.5
[M+Na-2H]- 437.28979 204.8
[M]+ 416.31457 191.0
[M]- 416.31567 191.0
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.