CID 3069610

84936-80-1

Structural Information

Molecular Formula
C20H24FN5O2
SMILES
COC1=NC(=NC=C1C(=O)NC2CC3CCC(C2)N3CC4=CC=CC=C4F)N
InChI
InChI=1S/C20H24FN5O2/c1-28-19-16(10-23-20(22)25-19)18(27)24-13-8-14-6-7-15(9-13)26(14)11-12-4-2-3-5-17(12)21/h2-5,10,13-15H,6-9,11H2,1H3,(H,24,27)(H2,22,23,25)
InChIKey
IHGNMPCIZXSYRU-UHFFFAOYSA-N
Compound name
2-amino-N-[8-[(2-fluorophenyl)methyl]-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

385.1914 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.198676 191.0
[M+Na]+ 408.180618 196.4
[M-H]- 384.184124 194.2
[M+NH4]+ 403.225223 200.8
[M+K]+ 424.154558 190.6
[M+H-H2O]+ 368.188660 179.4
[M+HCOO]- 430.189601 205.2
[M+CH3COO]- 444.205251 198.4
[M+Na-2H]- 406.166066 190.8
[M]+ 385.19085142 187.2
[M]- 385.19194858 187.2
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.