CID 3069591

Brn 5636743

Structural Information

Molecular Formula
C23H30N4O2
SMILES
CCC1=NC=C(C(=N1)OCC)C(=O)NC2CC3CCC(C2)N3CC4=CC=CC=C4
InChI
InChI=1S/C23H30N4O2/c1-3-21-24-14-20(23(26-21)29-4-2)22(28)25-17-12-18-10-11-19(13-17)27(18)15-16-8-6-5-7-9-16/h5-9,14,17-19H,3-4,10-13,15H2,1-2H3,(H,25,28)
InChIKey
CWYYBVIKFMWYEO-UHFFFAOYSA-N
Compound name
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-4-ethoxy-2-ethylpyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.23688 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.24416 198.7
[M+Na]+ 417.22610 210.2
[M+NH4]+ 412.27070 205.3
[M+K]+ 433.20004 204.2
[M-H]- 393.22960 202.5
[M+Na-2H]- 415.21155 203.1
[M]+ 394.23633 201.2
[M]- 394.23743 201.2
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.