CID 3063863

Ammonium, (p-terphenyl-4,4''-ylene)bis(2-oxoethylene)bis((3-acetylpropyl)dimethyl-, dibromide

Structural Information

Molecular Formula
C36H46N2O4
SMILES
CC(=O)CCC[N+](C)(C)CC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)C[N+](C)(C)CCCC(=O)C
InChI
InChI=1S/C36H46N2O4/c1-27(39)9-7-23-37(3,4)25-35(41)33-19-15-31(16-20-33)29-11-13-30(14-12-29)32-17-21-34(22-18-32)36(42)26-38(5,6)24-8-10-28(2)40/h11-22H,7-10,23-26H2,1-6H3/q+2
InChIKey
LRFWZDSWRUDJOX-UHFFFAOYSA-N
Compound name
[2-[4-[4-[4-[2-[dimethyl(4-oxopentyl)azaniumyl]acetyl]phenyl]phenyl]phenyl]-2-oxoethyl]-dimethyl-(4-oxopentyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

570.34576 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 571.35304 240.7
[M+Na]+ 593.33498 254.6
[M+NH4]+ 588.37958 246.7
[M+K]+ 609.30892 248.6
[M-H]- 569.33848 249.1
[M+Na-2H]- 591.32043 249.6
[M]+ 570.34521 245.8
[M]- 570.34631 245.8
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.