CID 13458835

Beta-((2,5-dimethyloxazolo(5,4-d)pyrimidin-7-yl)amino)benzenepropanoic acid

Structural Information

Molecular Formula
C16H16N4O3
SMILES
CC1=NC(=C2C(=N1)OC(=N2)C)NC(CC(=O)O)C3=CC=CC=C3
InChI
InChI=1S/C16H16N4O3/c1-9-17-15(14-16(18-9)23-10(2)19-14)20-12(8-13(21)22)11-6-4-3-5-7-11/h3-7,12H,8H2,1-2H3,(H,21,22)(H,17,18,20)
InChIKey
PWWYBFJYOUYXFP-UHFFFAOYSA-N
Compound name
3-[(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]-3-phenylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.12225 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.12953 171.4
[M+Na]+ 335.11147 184.7
[M+NH4]+ 330.15607 177.0
[M+K]+ 351.08541 181.7
[M-H]- 311.11497 174.5
[M+Na-2H]- 333.09692 177.3
[M]+ 312.12170 174.0
[M]- 312.12280 174.0
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.