CID 24702180

1-(4-methylpiperazin-1-yl)-2-(piperidin-4-yl)ethan-1-one

Structural Information

Molecular Formula
C12H23N3O
SMILES
CN1CCN(CC1)C(=O)CC2CCNCC2
InChI
InChI=1S/C12H23N3O/c1-14-6-8-15(9-7-14)12(16)10-11-2-4-13-5-3-11/h11,13H,2-10H2,1H3
InChIKey
MTRIGGNGKPDIJO-UHFFFAOYSA-N
Compound name
1-(4-methylpiperazin-1-yl)-2-piperidin-4-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

225.18411 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.19139 158.2
[M+Na]+ 248.17333 160.0
[M-H]- 224.17683 157.2
[M+NH4]+ 243.21793 170.7
[M+K]+ 264.14727 156.9
[M+H-H2O]+ 208.18137 148.6
[M+HCOO]- 270.18231 168.3
[M+CH3COO]- 284.19796 186.4
[M+Na-2H]- 246.15878 158.6
[M]+ 225.18356 148.0
[M]- 225.18466 148.0
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