CID 211590

Brn 2996449

Structural Information

Molecular Formula
C18H32N4O2
SMILES
CCN(CC)CCNC1=CC(=O)C(=CC1=O)NCCN(CC)CC
InChI
InChI=1S/C18H32N4O2/c1-5-21(6-2)11-9-19-15-13-18(24)16(14-17(15)23)20-10-12-22(7-3)8-4/h13-14,19-20H,5-12H2,1-4H3
InChIKey
QIYLPMSJLKJQQD-UHFFFAOYSA-N
Compound name
2,5-bis[2-(diethylamino)ethylamino]cyclohexa-2,5-diene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.25253 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.25981 185.2
[M+Na]+ 359.24175 187.7
[M-H]- 335.24525 190.4
[M+NH4]+ 354.28635 199.2
[M+K]+ 375.21569 186.7
[M+H-H2O]+ 319.24979 176.1
[M+HCOO]- 381.25073 211.0
[M+CH3COO]- 395.26638 231.7
[M+Na-2H]- 357.22720 185.3
[M]+ 336.25198 188.9
[M]- 336.25308 188.9
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