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]+ 237.098216 150.6
[M+Na]+ 259.080158 161.4
[M-H]- 235.083664 153.3
[M+NH4]+ 254.124763 166.1
[M+K]+ 275.054098 160.8
[M+H-H2O]+ 219.088200 142.7
[M+HCOO]- 281.089141 171.8
[M+CH3COO]- 295.104791 195.3
[M+Na-2H]- 257.065606 156.4
[M]+ 236.09039142 156.8
[M]- 236.09148858 156.8
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.