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 198.1
[M+Na]+ 417.22610 201.8
[M-H]- 393.22960 202.0
[M+NH4]+ 412.27070 207.7
[M+K]+ 433.20004 196.1
[M+H-H2O]+ 377.23414 186.5
[M+HCOO]- 439.23508 211.7
[M+CH3COO]- 453.25073 205.0
[M+Na-2H]- 415.21155 197.5
[M]+ 394.23633 197.0
[M]- 394.23743 197.0
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.