CID 71315156

1794-55-4

Structural Information

Molecular Formula
C26H36N2O4
SMILES
CC(C)C(CCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC
InChI
InChI=1S/C26H36N2O4/c1-19(2)26(18-27,21-9-11-23(30-5)25(17-21)32-7)13-15-28(3)14-12-20-8-10-22(29-4)24(16-20)31-6/h8-11,16-17,19H,12-15H2,1-7H3
InChIKey
AREHFLBSUIDYNI-UHFFFAOYSA-N
Compound name
2-(3,4-dimethoxyphenyl)-2-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]ethyl]-3-methylbutanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.26752 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.27480 206.1
[M+Na]+ 463.25674 216.4
[M+NH4]+ 458.30134 208.0
[M+K]+ 479.23068 207.1
[M-H]- 439.26024 201.8
[M+Na-2H]- 461.24219 208.6
[M]+ 440.26697 205.6
[M]- 440.26807 205.6
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.