CID 3059397

2-amino-n-(8-benzyl-3-beta-nortropanyl)-4-methoxy-5-pyrimidinecarboxamide

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]+ 368.20812 188.3
[M+Na]+ 390.19006 198.8
[M+NH4]+ 385.23466 194.7
[M+K]+ 406.16400 194.3
[M-H]- 366.19356 192.2
[M+Na-2H]- 388.17551 192.8
[M]+ 367.20029 190.5
[M]- 367.20139 190.5
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.