CID 9884781

Chembl146556

Structural Information

Molecular Formula
C22H26N2O2
SMILES
C1CN(CCN1CC2CC3=CC=CC=C3C2)C4=CC5=C(C=C4)OCCO5
InChI
InChI=1S/C22H26N2O2/c1-2-4-19-14-17(13-18(19)3-1)16-23-7-9-24(10-8-23)20-5-6-21-22(15-20)26-12-11-25-21/h1-6,15,17H,7-14,16H2
InChIKey
CYPJMEGEBKHODC-UHFFFAOYSA-N
Compound name
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2,3-dihydro-1H-inden-2-ylmethyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

7
Patents

350.19943 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.20671 186.7
[M+Na]+ 373.18865 200.9
[M+NH4]+ 368.23325 196.0
[M+K]+ 389.16259 194.0
[M-H]- 349.19215 195.7
[M+Na-2H]- 371.17410 192.0
[M]+ 350.19888 191.4
[M]- 350.19998 191.4
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