CID 47546

65210-34-6

Structural Information

Molecular Formula
C21H32N2O2
SMILES
CC1(OC2=C(O1)C=C(C=C2)CN3CCCCC3)CCN4CCCCC4
InChI
InChI=1S/C21H32N2O2/c1-21(10-15-22-11-4-2-5-12-22)24-19-9-8-18(16-20(19)25-21)17-23-13-6-3-7-14-23/h8-9,16H,2-7,10-15,17H2,1H3
InChIKey
MAXCYSHQJOAVCE-UHFFFAOYSA-N
Compound name
1-[[2-methyl-2-(2-piperidin-1-ylethyl)-1,3-benzodioxol-5-yl]methyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.24637 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.25365 186.4
[M+Na]+ 367.23559 188.4
[M-H]- 343.23909 192.9
[M+NH4]+ 362.28019 197.9
[M+K]+ 383.20953 186.0
[M+H-H2O]+ 327.24363 175.6
[M+HCOO]- 389.24457 195.9
[M+CH3COO]- 403.26022 193.9
[M+Na-2H]- 365.22104 186.1
[M]+ 344.24582 180.6
[M]- 344.24692 180.6
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.