CID 71342

Pancopride

Structural Information

Molecular Formula
C18H24ClN3O2
SMILES
C1CC1COC2=CC(=C(C=C2C(=O)NC3CN4CCC3CC4)Cl)N
InChI
InChI=1S/C18H24ClN3O2/c19-14-7-13(17(8-15(14)20)24-10-11-1-2-11)18(23)21-16-9-22-5-3-12(16)4-6-22/h7-8,11-12,16H,1-6,9-10,20H2,(H,21,23)
InChIKey
DBQMQBCSKXTCIJ-UHFFFAOYSA-N
Compound name
4-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloro-2-(cyclopropylmethoxy)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

348
Patents

349.1557 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.16298 168.7
[M+Na]+ 372.14492 180.9
[M+NH4]+ 367.18952 179.0
[M+K]+ 388.11886 174.8
[M-H]- 348.14842 177.7
[M+Na-2H]- 370.13037 171.8
[M]+ 349.15515 174.2
[M]- 349.15625 174.2
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