CID 6309

(1,1'-biphenyl)-4,4'-diethanaminium, n,n'-bis(2-hydroxyethyl)-n,n,n',n'-tetramethyl-beta,beta'-dioxo-, dibromide

Structural Information

Molecular Formula
C24H34N2O4
SMILES
C[N+](C)(CCO)C(=O)CC1=CC=C(C=C1)C2=CC=C(C=C2)CC(=O)[N+](C)(C)CCO
InChI
InChI=1S/C24H34N2O4/c1-25(2,13-15-27)23(29)17-19-5-9-21(10-6-19)22-11-7-20(8-12-22)18-24(30)26(3,4)14-16-28/h5-12,27-28H,13-18H2,1-4H3/q+2
InChIKey
KGCPHCQDUYHPCQ-UHFFFAOYSA-N
Compound name
2-hydroxyethyl-[2-[4-[4-[2-[2-hydroxyethyl(dimethyl)azaniumyl]-2-oxoethyl]phenyl]phenyl]acetyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.25186 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.25914 200.4
[M+Na]+ 437.24108 202.4
[M-H]- 413.24458 206.4
[M+NH4]+ 432.28568 209.6
[M+K]+ 453.21502 188.3
[M+H-H2O]+ 397.24912 197.4
[M+HCOO]- 459.25006 218.0
[M+CH3COO]- 473.26571 217.3
[M+Na-2H]- 435.22653 207.6
[M]+ 414.25131 200.4
[M]- 414.25241 200.4
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.