CID 121096

Brn 3000674

Structural Information

Molecular Formula
C20H36N4O2
SMILES
CCN(CC)CCCNC1=CC(=O)C(=CC1=O)NCCCN(CC)CC
InChI
InChI=1S/C20H36N4O2/c1-5-23(6-2)13-9-11-21-17-15-20(26)18(16-19(17)25)22-12-10-14-24(7-3)8-4/h15-16,21-22H,5-14H2,1-4H3
InChIKey
DETYWLRQFMVIJN-UHFFFAOYSA-N
Compound name
2,5-bis[3-(diethylamino)propylamino]cyclohexa-2,5-diene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

364.2838 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.29108 194.0
[M+Na]+ 387.27302 195.6
[M-H]- 363.27652 198.8
[M+NH4]+ 382.31762 206.8
[M+K]+ 403.24696 194.2
[M+H-H2O]+ 347.28106 184.5
[M+HCOO]- 409.28200 219.1
[M+CH3COO]- 423.29765 237.7
[M+Na-2H]- 385.25847 193.1
[M]+ 364.28325 198.5
[M]- 364.28435 198.5
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

patents stripe