CID 126787

Cerm 11956

Structural Information

Molecular Formula
C25H34N2O3
SMILES
CCC(C)OCC(CN(CC1=CC=CC=C1)C2=CC3=C(C=C2)OCO3)N4CCCC4
InChI
InChI=1S/C25H34N2O3/c1-3-20(2)28-18-23(26-13-7-8-14-26)17-27(16-21-9-5-4-6-10-21)22-11-12-24-25(15-22)30-19-29-24/h4-6,9-12,15,20,23H,3,7-8,13-14,16-19H2,1-2H3
InChIKey
ZOLZLONOVWCZEV-UHFFFAOYSA-N
Compound name
N-benzyl-N-(3-butan-2-yloxy-2-pyrrolidin-1-ylpropyl)-1,3-benzodioxol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

32
Patents

410.25696 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.26424 202.3
[M+Na]+ 433.24618 211.7
[M+NH4]+ 428.29078 209.4
[M+K]+ 449.22012 209.1
[M-H]- 409.24968 210.0
[M+Na-2H]- 431.23163 206.4
[M]+ 410.25641 205.7
[M]- 410.25751 205.7
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.