CID 24065

(1,1'-biphenyl)-4,4'-diethanaminium, n,n,n,n',n',n'-hexamethyl-beta,beta'-dioxo-, dibromide

Structural Information

Molecular Formula
C22H30N2O2
SMILES
C[N+](C)(C)C(=O)CC1=CC=C(C=C1)C2=CC=C(C=C2)CC(=O)[N+](C)(C)C
InChI
InChI=1S/C22H30N2O2/c1-23(2,3)21(25)15-17-7-11-19(12-8-17)20-13-9-18(10-14-20)16-22(26)24(4,5)6/h7-14H,15-16H2,1-6H3/q+2
InChIKey
RGPUUOBREZKWQK-UHFFFAOYSA-N
Compound name
trimethyl-[2-[4-[4-[2-oxo-2-(trimethylazaniumyl)ethyl]phenyl]phenyl]acetyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.23074 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.23802 184.7
[M+Na]+ 377.21996 200.4
[M+NH4]+ 372.26456 194.0
[M+K]+ 393.19390 195.0
[M-H]- 353.22346 192.8
[M+Na-2H]- 375.20541 194.9
[M]+ 354.23019 190.2
[M]- 354.23129 190.2
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.