CID 46930

Ammonium, (methylenebis(p-phenylene)bis(2-oxoethylene))bis((2-hydroxyethyl)dimethyl-, dibromide

Structural Information

Molecular Formula
C25H36N2O4
SMILES
C[N+](C)(CCO)C(=O)CC1=CC=C(C=C1)CC2=CC=C(C=C2)CC(=O)[N+](C)(C)CCO
InChI
InChI=1S/C25H36N2O4/c1-26(2,13-15-28)24(30)18-22-9-5-20(6-10-22)17-21-7-11-23(12-8-21)19-25(31)27(3,4)14-16-29/h5-12,28-29H,13-19H2,1-4H3/q+2
InChIKey
BTUCHCZNBPDJKU-UHFFFAOYSA-N
Compound name
2-hydroxyethyl-[2-[4-[[4-[2-[2-hydroxyethyl(dimethyl)azaniumyl]-2-oxoethyl]phenyl]methyl]phenyl]acetyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.26752 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.27480 203.5
[M+Na]+ 451.25674 216.4
[M+NH4]+ 446.30134 210.4
[M+K]+ 467.23068 212.0
[M-H]- 427.26024 209.4
[M+Na-2H]- 449.24219 210.9
[M]+ 428.26697 207.7
[M]- 428.26807 207.7
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.