CID 44243144

Ver-156084

Structural Information

Molecular Formula
C21H23Cl2N3O2
SMILES
C1CCN(CC1)C(=O)N2CC(C2)O[C@@H](C3=CC=C(C=C3)Cl)C4=C(N=CC=C4)Cl
InChI
InChI=1S/C21H23Cl2N3O2/c22-16-8-6-15(7-9-16)19(18-5-4-10-24-20(18)23)28-17-13-26(14-17)21(27)25-11-2-1-3-12-25/h4-10,17,19H,1-3,11-14H2/t19-/m0/s1
InChIKey
QEKKZTBXSULKCC-IBGZPJMESA-N
Compound name
[3-[(S)-(4-chlorophenyl)-(2-chloropyridin-3-yl)methoxy]azetidin-1-yl]-piperidin-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6
Patents

419.11673 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.12401 188.8
[M+Na]+ 442.10595 199.7
[M+NH4]+ 437.15055 192.4
[M+K]+ 458.07989 193.2
[M-H]- 418.10945 191.6
[M+Na-2H]- 440.09140 195.3
[M]+ 419.11618 190.6
[M]- 419.11728 190.6
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