CID 43042

Succinyldioxydiethylenebis(adamantyldimethylammonium) diiodide

Structural Information

Molecular Formula
C32H54N2O4
SMILES
C[N+](C)(CCOC(=O)CCC(=O)OCC[N+](C)(C)C1C2CC3CC(C2)CC1C3)C4C5CC6CC(C5)CC4C6
InChI
InChI=1S/C32H54N2O4/c1-33(2,31-25-13-21-11-22(15-25)16-26(31)14-21)7-9-37-29(35)5-6-30(36)38-10-8-34(3,4)32-27-17-23-12-24(19-27)20-28(32)18-23/h21-28,31-32H,5-20H2,1-4H3/q+2
InChIKey
WJZUTOKGNAYRES-UHFFFAOYSA-N
Compound name
2-adamantyl-[2-[4-[2-[2-adamantyl(dimethyl)azaniumyl]ethoxy]-4-oxobutanoyl]oxyethyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

530.4084 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 531.41568 210.3
[M+Na]+ 553.39762 194.4
[M-H]- 529.40112 198.5
[M+NH4]+ 548.44222 220.8
[M+K]+ 569.37156 184.2
[M+H-H2O]+ 513.40566 202.6
[M+HCOO]- 575.40660 194.8
[M+CH3COO]- 589.42225 256.1
[M+Na-2H]- 551.38307 219.1
[M]+ 530.40785 207.9
[M]- 530.40895 207.9
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.