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 168.2
[M+Na]+ 314.15875 174.2
[M-H]- 290.16225 169.7
[M+NH4]+ 309.20335 182.3
[M+K]+ 330.13269 170.8
[M+H-H2O]+ 274.16679 159.2
[M+HCOO]- 336.16773 184.2
[M+CH3COO]- 350.18338 208.1
[M+Na-2H]- 312.14420 170.0
[M]+ 291.16898 165.5
[M]- 291.17008 165.5
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.