CID 13053684

91595-91-4

Structural Information

Molecular Formula
C14H21N5O2
SMILES
CN1[C@@H]2CC[C@H]1CC(C2)NC(=O)C3=CN=C(N=C3OC)N
InChI
InChI=1S/C14H21N5O2/c1-19-9-3-4-10(19)6-8(5-9)17-12(20)11-7-16-14(15)18-13(11)21-2/h7-10H,3-6H2,1-2H3,(H,17,20)(H2,15,16,18)/t8?,9-,10+
InChIKey
MCUXDVXVTWHMTH-PBINXNQUSA-N
Compound name
2-amino-4-methoxy-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]pyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.16953 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.17681 167.6
[M+Na]+ 314.15875 176.4
[M+NH4]+ 309.20335 173.8
[M+K]+ 330.13269 173.7
[M-H]- 290.16225 168.8
[M+Na-2H]- 312.14420 169.5
[M]+ 291.16898 168.7
[M]- 291.17008 168.7
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.