CID 13053672

2-amino-n-(8-ethyl-3-beta-nortropanyl)-4-methoxy-5-pyrimidinecarboxamide maleate (2:1)

Structural Information

Molecular Formula
C15H23N5O2
SMILES
CCN1[C@@H]2CC[C@H]1CC(C2)NC(=O)C3=CN=C(N=C3OC)N
InChI
InChI=1S/C15H23N5O2/c1-3-20-10-4-5-11(20)7-9(6-10)18-13(21)12-8-17-15(16)19-14(12)22-2/h8-11H,3-7H2,1-2H3,(H,18,21)(H2,16,17,19)/t9?,10-,11+
InChIKey
UGNWSQQWYJSJLO-FGWVZKOKSA-N
Compound name
2-amino-N-[(1S,5R)-8-ethyl-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

305.18518 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.19246 172.0
[M+Na]+ 328.17440 180.5
[M+NH4]+ 323.21900 178.0
[M+K]+ 344.14834 177.6
[M-H]- 304.17790 173.2
[M+Na-2H]- 326.15985 173.7
[M]+ 305.18463 173.0
[M]- 305.18573 173.0
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.