CID 58174

1,10-bis(4-methylpiperazin-1-yl)decane-1,10-dione

Structural Information

Molecular Formula
C20H38N4O2
SMILES
CN1CCN(CC1)C(=O)CCCCCCCCC(=O)N2CCN(CC2)C
InChI
InChI=1S/C20H38N4O2/c1-21-11-15-23(16-12-21)19(25)9-7-5-3-4-6-8-10-20(26)24-17-13-22(2)14-18-24/h3-18H2,1-2H3
InChIKey
KMBLUHMBRZOAPG-UHFFFAOYSA-N
Compound name
1,10-bis(4-methylpiperazin-1-yl)decane-1,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

366.29947 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.306746 197.9
[M+Na]+ 389.288688 197.6
[M-H]- 365.292194 195.8
[M+NH4]+ 384.333293 204.1
[M+K]+ 405.262628 193.8
[M+H-H2O]+ 349.296730 186.1
[M+HCOO]- 411.297671 204.9
[M+CH3COO]- 425.313321 218.1
[M+Na-2H]- 387.274136 193.0
[M]+ 366.29892142 193.3
[M]- 366.30001858 193.3
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

patents stripe