CID 3566377

477328-88-4

Structural Information

Molecular Formula
C21H24N2O4
SMILES
COC1=CC=C(C=C1)N2CCN(CC2)CCC(=O)C3=CC4=C(C=C3)OCO4
InChI
InChI=1S/C21H24N2O4/c1-25-18-5-3-17(4-6-18)23-12-10-22(11-13-23)9-8-19(24)16-2-7-20-21(14-16)27-15-26-20/h2-7,14H,8-13,15H2,1H3
InChIKey
MPKQUPHPOPNTSL-UHFFFAOYSA-N
Compound name
1-(1,3-benzodioxol-5-yl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.1736 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.180876 188.1
[M+Na]+ 391.162818 192.6
[M-H]- 367.166324 196.1
[M+NH4]+ 386.207423 196.7
[M+K]+ 407.136758 190.7
[M+H-H2O]+ 351.170860 177.7
[M+HCOO]- 413.171801 201.4
[M+CH3COO]- 427.187451 196.8
[M+Na-2H]- 389.148266 188.5
[M]+ 368.17305142 188.3
[M]- 368.17414858 188.3
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

No patent data available for this compound.