CID 13458834

102248-98-6

Structural Information

Molecular Formula
C10H12N4O3
SMILES
CC1=NC(=C2C(=N1)OC(=N2)C)N(C)CC(=O)O
InChI
InChI=1S/C10H12N4O3/c1-5-11-9(14(3)4-7(15)16)8-10(12-5)17-6(2)13-8/h4H2,1-3H3,(H,15,16)
InChIKey
PTIJJLMAROUVCT-UHFFFAOYSA-N
Compound name
2-[(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-methylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.09094 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.09822 150.1
[M+Na]+ 259.08016 162.2
[M+NH4]+ 254.12476 155.8
[M+K]+ 275.05410 160.7
[M-H]- 235.08366 150.9
[M+Na-2H]- 257.06561 153.9
[M]+ 236.09039 151.8
[M]- 236.09149 151.8
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.