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 183.8
[M+Na]+ 375.17912 188.1
[M-H]- 351.18262 188.0
[M+NH4]+ 370.22372 194.9
[M+K]+ 391.15306 182.9
[M+H-H2O]+ 335.18716 172.6
[M+HCOO]- 397.18810 198.6
[M+CH3COO]- 411.20375 191.8
[M+Na-2H]- 373.16457 185.6
[M]+ 352.18935 181.5
[M]- 352.19045 181.5
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.