CID 3069584

Brn 5624141

Structural Information

Molecular Formula
C20H24N4O2
SMILES
COC1=NC=NC=C1C(=O)NC2CC3CCC(C2)N3CC4=CC=CC=C4
InChI
InChI=1S/C20H24N4O2/c1-26-20-18(11-21-13-22-20)19(25)23-15-9-16-7-8-17(10-15)24(16)12-14-5-3-2-4-6-14/h2-6,11,13,15-17H,7-10,12H2,1H3,(H,23,25)
InChIKey
DKZNCEHGTWVAQG-UHFFFAOYSA-N
Compound name
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-4-methoxypyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.1899 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.19718 185.2
[M+Na]+ 375.17912 197.0
[M+NH4]+ 370.22372 192.3
[M+K]+ 391.15306 191.5
[M-H]- 351.18262 189.0
[M+Na-2H]- 373.16457 190.7
[M]+ 352.18935 187.7
[M]- 352.19045 187.7
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

No patent data available for this compound.