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]+ 353.197176 183.8
[M+Na]+ 375.179118 188.1
[M-H]- 351.182624 188.0
[M+NH4]+ 370.223723 194.9
[M+K]+ 391.153058 182.9
[M+H-H2O]+ 335.187160 172.6
[M+HCOO]- 397.188101 198.6
[M+CH3COO]- 411.203751 191.8
[M+Na-2H]- 373.164566 185.6
[M]+ 352.18935142 181.5
[M]- 352.19044858 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.