CID 72710794

Pancopridum

Structural Information

Molecular Formula
C18H24ClN3O2
SMILES
C1CC1COC2=CC(=C(C=C2C(=O)N[C@@H]3CN4CCC3CC4)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)/t16-/m1/s1
InChIKey
DBQMQBCSKXTCIJ-MRXNPFEDSA-N
Compound name
4-amino-N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-chloro-2-(cyclopropylmethoxy)benzamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

7
References

516
Patents

349.1557 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.162976 175.4
[M+Na]+ 372.144918 180.5
[M-H]- 348.148424 176.0
[M+NH4]+ 367.189523 186.9
[M+K]+ 388.118858 174.3
[M+H-H2O]+ 332.152960 168.8
[M+HCOO]- 394.153901 181.3
[M+CH3COO]- 408.169551 182.5
[M+Na-2H]- 370.130366 181.6
[M]+ 349.15515142 179.3
[M]- 349.15624858 179.3
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