CID 16206241

Brn 3443862

Structural Information

Molecular Formula
C22H40N4O2
SMILES
CCN(CC)CCCCNC1=CC(=O)C(=CC1=O)NCCCCN(CC)CC
InChI
InChI=1S/C22H40N4O2/c1-5-25(6-2)15-11-9-13-23-19-17-22(28)20(18-21(19)27)24-14-10-12-16-26(7-3)8-4/h17-18,23-24H,5-16H2,1-4H3
InChIKey
UZHLVQRGGVYZCA-UHFFFAOYSA-N
Compound name
2,5-bis[4-(diethylamino)butylamino]cyclohexa-2,5-diene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

392.31512 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.32240 202.8
[M+Na]+ 415.30434 203.5
[M-H]- 391.30784 207.1
[M+NH4]+ 410.34894 214.4
[M+K]+ 431.27828 201.6
[M+H-H2O]+ 375.31238 192.8
[M+HCOO]- 437.31332 227.2
[M+CH3COO]- 451.32897 243.6
[M+Na-2H]- 413.28979 200.8
[M]+ 392.31457 207.9
[M]- 392.31567 207.9
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