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]+ 367.30675 184.8
[M+Na]+ 389.28869 187.4
[M-H]- 365.29219 190.2
[M+NH4]+ 384.33329 197.7
[M+K]+ 405.26263 174.4
[M+H-H2O]+ 349.29673 182.5
[M+HCOO]- 411.29767 207.5
[M+CH3COO]- 425.31332 222.4
[M+Na-2H]- 387.27414 194.0
[M]+ 366.29892 185.8
[M]- 366.30002 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.