CID 39870955

3-{3-carbamoyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl}propanoic acid

Structural Information

Molecular Formula
C12H14N4O3
SMILES
CC1=C(C(=NC2=C(C=NN12)C(=O)N)C)CCC(=O)O
InChI
InChI=1S/C12H14N4O3/c1-6-8(3-4-10(17)18)7(2)16-12(15-6)9(5-14-16)11(13)19/h5H,3-4H2,1-2H3,(H2,13,19)(H,17,18)
InChIKey
FLRMXXLPCZWEST-UHFFFAOYSA-N
Compound name
3-(3-carbamoyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.1066 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.11388 158.6
[M+Na]+ 285.09582 169.3
[M+NH4]+ 280.14042 163.2
[M+K]+ 301.06976 167.8
[M-H]- 261.09932 157.1
[M+Na-2H]- 283.08127 161.0
[M]+ 262.10605 159.2
[M]- 262.10715 159.2
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.