CID 70431888

4-amino-n-1-azabicyclo(2.2.2)oct-3-yl-5-chloro-2-methoxybenzamide (z)-2-butenedioate (1:1)

Structural Information

Molecular Formula
C15H20ClN3O2
SMILES
COC1=CC(=C(C=C1C(=O)N)Cl)NC2CN3CCC2CC3
InChI
InChI=1S/C15H20ClN3O2/c1-21-14-7-12(11(16)6-10(14)15(17)20)18-13-8-19-4-2-9(13)3-5-19/h6-7,9,13,18H,2-5,8H2,1H3,(H2,17,20)
InChIKey
DSSQTBBVTLVJRO-UHFFFAOYSA-N
Compound name
4-(1-azabicyclo[2.2.2]octan-3-ylamino)-5-chloro-2-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

309.1244 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.13168 162.6
[M+Na]+ 332.11362 173.1
[M+NH4]+ 327.15822 172.1
[M+K]+ 348.08756 166.1
[M-H]- 308.11712 163.1
[M+Na-2H]- 330.09907 161.9
[M]+ 309.12385 164.3
[M]- 309.12495 164.3
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