CID 3069610

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

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]+ 386.19868 191.0
[M+Na]+ 408.18062 196.4
[M-H]- 384.18412 194.2
[M+NH4]+ 403.22522 200.8
[M+K]+ 424.15456 190.6
[M+H-H2O]+ 368.18866 179.4
[M+HCOO]- 430.18960 205.2
[M+CH3COO]- 444.20525 198.4
[M+Na-2H]- 406.16607 190.8
[M]+ 385.19085 187.2
[M]- 385.19195 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.