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

11
Patents

225.18411 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.191386 158.2
[M+Na]+ 248.173328 160.0
[M-H]- 224.176834 157.2
[M+NH4]+ 243.217933 170.7
[M+K]+ 264.147268 156.9
[M+H-H2O]+ 208.181370 148.6
[M+HCOO]- 270.182311 168.3
[M+CH3COO]- 284.197961 186.4
[M+Na-2H]- 246.158776 158.6
[M]+ 225.18356142 148.0
[M]- 225.18465858 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