CID 154699688

Ns00117432

Structural Information

Molecular Formula
C25H34N2O3
SMILES
CC(C)[C@@](CCCNCCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=CC=C2)OC
InChI
InChI=1S/C25H34N2O3/c1-19(2)25(18-26,21-8-6-9-22(17-21)28-3)13-7-14-27-15-12-20-10-11-23(29-4)24(16-20)30-5/h6,8-11,16-17,19,27H,7,12-15H2,1-5H3/t25-/m1/s1
InChIKey
IQVLXQZAOGCLEE-RUZDIDTESA-N
Compound name
(2R)-5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-(3-methoxyphenyl)-2-propan-2-ylpentanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.25696 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.26424 202.3
[M+Na]+ 433.24618 212.8
[M+NH4]+ 428.29078 204.7
[M+K]+ 449.22012 202.3
[M-H]- 409.24968 198.2
[M+Na-2H]- 431.23163 205.2
[M]+ 410.25641 201.8
[M]- 410.25751 201.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.