CID 201802

4-(alpha-methylpiperonyl)-1-piperonyloylpiperazine hydrochloride

Structural Information

Molecular Formula
C21H22N2O5
SMILES
CC(C1=CC2=C(C=C1)OCO2)N3CCN(CC3)C(=O)C4=CC5=C(C=C4)OCO5
InChI
InChI=1S/C21H22N2O5/c1-14(15-2-4-17-19(10-15)27-12-25-17)22-6-8-23(9-7-22)21(24)16-3-5-18-20(11-16)28-13-26-18/h2-5,10-11,14H,6-9,12-13H2,1H3
InChIKey
ANISETBNKIVZDH-UHFFFAOYSA-N
Compound name
1,3-benzodioxol-5-yl-[4-[1-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.15286 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.16014 187.4
[M+Na]+ 405.14208 199.3
[M+NH4]+ 400.18668 194.2
[M+K]+ 421.11602 199.0
[M-H]- 381.14558 196.3
[M+Na-2H]- 403.12753 189.1
[M]+ 382.15231 191.5
[M]- 382.15341 191.5
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

No patent data available for this compound.