CID 9884746

392338-13-5

Structural Information

Molecular Formula
C22H27N3O
SMILES
CN(C)[C@@H]1CCN(C1)CCCOC2=CC=C(C=C2)C3=CC=C(C=C3)C#N
InChI
InChI=1S/C22H27N3O/c1-24(2)21-12-14-25(17-21)13-3-15-26-22-10-8-20(9-11-22)19-6-4-18(16-23)5-7-19/h4-11,21H,3,12-15,17H2,1-2H3/t21-/m1/s1
InChIKey
FXIPXWLVYIHFEP-OAQYLSRUSA-N
Compound name
4-[4-[3-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]propoxy]phenyl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

108
Patents

349.21542 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.22270 188.8
[M+Na]+ 372.20464 200.6
[M+NH4]+ 367.24924 193.2
[M+K]+ 388.17858 190.5
[M-H]- 348.20814 187.2
[M+Na-2H]- 370.19009 193.6
[M]+ 349.21487 189.2
[M]- 349.21597 189.2
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

patents stripe