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

141
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 186.8
[M+Na]+ 372.20464 193.6
[M-H]- 348.20814 193.2
[M+NH4]+ 367.24924 198.4
[M+K]+ 388.17858 186.7
[M+H-H2O]+ 332.21268 169.9
[M+HCOO]- 394.21362 204.2
[M+CH3COO]- 408.22927 227.9
[M+Na-2H]- 370.19009 185.6
[M]+ 349.21487 181.8
[M]- 349.21597 181.8
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.