CID 13458833

N-(2,5-dimethyloxazolo(5,4-d)pyrimidin-7-yl)-dl-valine

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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.12953 160.7
[M+Na]+ 287.11147 169.9
[M-H]- 263.11497 161.8
[M+NH4]+ 282.15607 174.2
[M+K]+ 303.08541 168.5
[M+H-H2O]+ 247.11951 152.9
[M+HCOO]- 309.12045 178.7
[M+CH3COO]- 323.13610 199.9
[M+Na-2H]- 285.09692 163.8
[M]+ 264.12170 165.1
[M]- 264.12280 165.1
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.