CID 46888

Ammonium, (oxybis(p-phenylylene)bis(2-oxoethylene))bis((2-hydroxyethyl)dimethyl-, dibromide

Structural Information

Molecular Formula
C24H34N2O5
SMILES
C[N+](C)(CCO)CC(=O)C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)C[N+](C)(C)CCO
InChI
InChI=1S/C24H34N2O5/c1-25(2,13-15-27)17-23(29)19-5-9-21(10-6-19)31-22-11-7-20(8-12-22)24(30)18-26(3,4)14-16-28/h5-12,27-28H,13-18H2,1-4H3/q+2
InChIKey
TXUMLFCZKUFEBC-UHFFFAOYSA-N
Compound name
2-hydroxyethyl-[2-[4-[4-[2-[2-hydroxyethyl(dimethyl)azaniumyl]acetyl]phenoxy]phenyl]-2-oxoethyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.24677 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.25405 203.3
[M+Na]+ 453.23599 204.8
[M-H]- 429.23949 209.1
[M+NH4]+ 448.28059 211.5
[M+K]+ 469.20993 191.4
[M+H-H2O]+ 413.24403 199.8
[M+HCOO]- 475.24497 220.9
[M+CH3COO]- 489.26062 220.6
[M+Na-2H]- 451.22144 210.8
[M]+ 430.24622 204.7
[M]- 430.24732 204.7
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.