CID 13458833

102248-97-5

Structural Information

Molecular Formula

C₁₂H₁₆N₄O₃

SMILES

CC1=NC(=C2C(=N1)OC(=N2)C)NC(C(C)C)C(=O)O

InChI

InChI=1S/C12H16N4O3/c1-5(2)8(12(17)18)16-10-9-11(14-6(3)13-10)19-7(4)15-9/h5,8H,1-4H3,(H,17,18)(H,13,14,16)

InChIKey

OKUCBEMNAMOQGX-UHFFFAOYSA-N

Compound name

2-[(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]-3-methylbutanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 264.12225 Da
Monoisotopic Mass: 2.5
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]+	265.129526	160.7
[M+Na]+	287.111468	169.9
[M-H]-	263.114974	161.8
[M+NH4]+	282.156073	174.2
[M+K]+	303.085408	168.5
[M+H-H2O]+	247.119510	152.9
[M+HCOO]-	309.120451	178.7
[M+CH3COO]-	323.136101	199.9
[M+Na-2H]-	285.096916	163.8
[M]+	264.12170142	165.1
[M]-	264.12279858	165.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.