CID 46790

Ammonium, (4,4'-biphenylylenebis(carbamoylmethylene))bis((2-hydroxyethyl)dimethyl-, dibromide

Structural Information

Molecular Formula
C24H36N4O4
SMILES
C[N+](C)(CCO)CNC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC[N+](C)(C)CCO
InChI
InChI=1S/C24H34N4O4/c1-27(2,13-15-29)17-25-23(31)21-9-5-19(6-10-21)20-7-11-22(12-8-20)24(32)26-18-28(3,4)14-16-30/h5-12,29-30H,13-18H2,1-4H3/p+2
InChIKey
SPYAEGLHZVPJDH-UHFFFAOYSA-P
Compound name
2-hydroxyethyl-[[[4-[4-[[2-hydroxyethyl(dimethyl)azaniumyl]methylcarbamoyl]phenyl]benzoyl]amino]methyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

444.27365 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.28093 202.8
[M+Na]+ 467.26287 202.7
[M-H]- 443.26637 208.4
[M+NH4]+ 462.30747 209.9
[M+K]+ 483.23681 189.1
[M+H-H2O]+ 427.27091 198.9
[M+HCOO]- 489.27185 222.2
[M+CH3COO]- 503.28750 227.2
[M+Na-2H]- 465.24832 211.6
[M]+ 444.27310 201.3
[M]- 444.27420 201.3
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.