CID 16206240

Brn 3456486

Structural Information

Molecular Formula
C24H44N4O2
SMILES
CCN(CC)CCCCCNC1=CC(=O)C(=CC1=O)NCCCCCN(CC)CC
InChI
InChI=1S/C24H44N4O2/c1-5-27(6-2)17-13-9-11-15-25-21-19-24(30)22(20-23(21)29)26-16-12-10-14-18-28(7-3)8-4/h19-20,25-26H,5-18H2,1-4H3
InChIKey
MCMARFMAYMRJEF-UHFFFAOYSA-N
Compound name
2,5-bis[5-(diethylamino)pentylamino]cyclohexa-2,5-diene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

420.34644 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.35372 211.4
[M+Na]+ 443.33566 211.2
[M-H]- 419.33916 215.3
[M+NH4]+ 438.38026 221.9
[M+K]+ 459.30960 208.9
[M+H-H2O]+ 403.34370 201.1
[M+HCOO]- 465.34464 235.1
[M+CH3COO]- 479.36029 249.4
[M+Na-2H]- 441.32111 208.5
[M]+ 420.34589 217.3
[M]- 420.34699 217.3
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.