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]+ 367.30675 197.9
[M+Na]+ 389.28869 197.6
[M-H]- 365.29219 195.8
[M+NH4]+ 384.33329 204.1
[M+K]+ 405.26263 193.8
[M+H-H2O]+ 349.29673 186.1
[M+HCOO]- 411.29767 204.9
[M+CH3COO]- 425.31332 218.1
[M+Na-2H]- 387.27414 193.0
[M]+ 366.29892 193.3
[M]- 366.30002 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