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]+ 431.254046 203.3
[M+Na]+ 453.235988 204.8
[M-H]- 429.239494 209.1
[M+NH4]+ 448.280593 211.5
[M+K]+ 469.209928 191.4
[M+H-H2O]+ 413.244030 199.8
[M+HCOO]- 475.244971 220.9
[M+CH3COO]- 489.260621 220.6
[M+Na-2H]- 451.221436 210.8
[M]+ 430.24622142 204.7
[M]- 430.24731858 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.