CID 3069606

Brn 5646299

Structural Information

Molecular Formula
C20H24ClN5O2
SMILES
COC1=NC(=NC=C1C(=O)NC2CC3CCC(C2)N3CC4=CC=CC=C4Cl)N
InChI
InChI=1S/C20H24ClN5O2/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
UPRXCZYGISDHPH-UHFFFAOYSA-N
Compound name
2-amino-N-[8-[(2-chlorophenyl)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

401.16187 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.16915 194.2
[M+Na]+ 424.15109 205.9
[M+NH4]+ 419.19569 200.8
[M+K]+ 440.12503 200.6
[M-H]- 400.15459 198.2
[M+Na-2H]- 422.13654 198.5
[M]+ 401.16132 196.9
[M]- 401.16242 196.9
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.