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-[(1R,5S)-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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	292.176806	168.2
[M+Na]+	314.158748	174.2
[M-H]-	290.162254	169.7
[M+NH4]+	309.203353	182.3
[M+K]+	330.132688	170.8
[M+H-H2O]+	274.166790	159.2
[M+HCOO]-	336.167731	184.2
[M+CH3COO]-	350.183381	208.1
[M+Na-2H]-	312.144196	170.0
[M]+	291.16898142	165.5
[M]-	291.17007858	165.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.