CID 52121

Ammonium, (p-benzoquinon-2,5-ylenebis(iminotrimethylene))bis(dimethylethyl-, dibromide

Structural Information

Molecular Formula
C20H38N4O2
SMILES
CC[N+](C)(C)CCCNC1=CC(=O)C(=CC1=O)NCCC[N+](C)(C)CC
InChI
InChI=1S/C20H36N4O2/c1-7-23(3,4)13-9-11-21-17-15-20(26)18(16-19(17)25)22-12-10-14-24(5,6)8-2/h15-16H,7-14H2,1-6H3/p+2
InChIKey
FBDOYHXEHWBVTG-UHFFFAOYSA-P
Compound name
ethyl-[3-[[4-[3-[ethyl(dimethyl)azaniumyl]propylamino]-3,6-dioxocyclohexa-1,4-dien-1-yl]amino]propyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.29947 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.306746 184.8
[M+Na]+ 389.288688 187.4
[M-H]- 365.292194 190.2
[M+NH4]+ 384.333293 197.7
[M+K]+ 405.262628 174.4
[M+H-H2O]+ 349.296730 182.5
[M+HCOO]- 411.297671 207.5
[M+CH3COO]- 425.313321 222.4
[M+Na-2H]- 387.274136 194.0
[M]+ 366.29892142 185.8
[M]- 366.30001858 185.8
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.