CID 172466

70133-84-5

Structural Information

Molecular Formula
C20H23ClN2O2
SMILES
C1CCN(CC1)CCN2C3=CC=CC=C3OCOC4=C2C=C(C=C4)Cl
InChI
InChI=1S/C20H23ClN2O2/c21-16-8-9-20-18(14-16)23(13-12-22-10-4-1-5-11-22)17-6-2-3-7-19(17)24-15-25-20/h2-3,6-9,14H,1,4-5,10-13,15H2
InChIKey
JYSPJDURLWCJMF-UHFFFAOYSA-N
Compound name
3-chloro-5-(2-piperidin-1-ylethyl)benzo[d][1,3,6]benzodioxazocine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

5
Patents

358.1448 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.15208 172.5
[M+Na]+ 381.13402 177.3
[M+NH4]+ 376.17862 175.2
[M+K]+ 397.10796 174.8
[M-H]- 357.13752 174.7
[M+Na-2H]- 379.11947 174.4
[M]+ 358.14425 173.9
[M]- 358.14535 173.9
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

patents stripe