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 195.3
[M+Na]+ 424.15109 201.2
[M-H]- 400.15459 199.5
[M+NH4]+ 419.19569 205.4
[M+K]+ 440.12503 194.7
[M+H-H2O]+ 384.15913 184.9
[M+HCOO]- 446.16007 205.8
[M+CH3COO]- 460.17572 202.8
[M+Na-2H]- 422.13654 195.1
[M]+ 401.16132 194.6
[M]- 401.16242 194.6
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.