CID 3069590

Brn 5630976

Structural Information

Molecular Formula
C22H28N4O2
SMILES
CCC1=NC=C(C(=N1)OC)C(=O)NC2CC3CCC(C2)N3CC4=CC=CC=C4
InChI
InChI=1S/C22H28N4O2/c1-3-20-23-13-19(22(25-20)28-2)21(27)24-16-11-17-9-10-18(12-16)26(17)14-15-7-5-4-6-8-15/h4-8,13,16-18H,3,9-12,14H2,1-2H3,(H,24,27)
InChIKey
AKXWUOCUFDGTCH-UHFFFAOYSA-N
Compound name
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-ethyl-4-methoxypyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.22122 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.22850 194.3
[M+Na]+ 403.21044 206.0
[M+NH4]+ 398.25504 201.1
[M+K]+ 419.18438 200.3
[M-H]- 379.21394 198.1
[M+Na-2H]- 401.19589 199.0
[M]+ 380.22067 196.8
[M]- 380.22177 196.8
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.