CID 3059397

76352-24-4

Structural Information

Molecular Formula
C20H25N5O2
SMILES
COC1=NC(=NC=C1C(=O)NC2CC3CCC(C2)N3CC4=CC=CC=C4)N
InChI
InChI=1S/C20H25N5O2/c1-27-19-17(11-22-20(21)24-19)18(26)23-14-9-15-7-8-16(10-14)25(15)12-13-5-3-2-4-6-13/h2-6,11,14-16H,7-10,12H2,1H3,(H,23,26)(H2,21,22,24)
InChIKey
XKCASSZOQILGIG-UHFFFAOYSA-N
Compound name
2-amino-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

367.20084 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.208116 186.8
[M+Na]+ 390.190058 191.1
[M-H]- 366.193564 190.9
[M+NH4]+ 385.234663 197.0
[M+K]+ 406.163998 185.8
[M+H-H2O]+ 350.198100 175.8
[M+HCOO]- 412.199041 202.0
[M+CH3COO]- 426.214691 194.5
[M+Na-2H]- 388.175506 188.0
[M]+ 367.20029142 183.5
[M]- 367.20138858 183.5
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.