CID 3075021

171088-81-6

Structural Information

Molecular Formula
C12H14N4O3
SMILES
CC1=NN2C(=C1)N=C(C=C2NC(=O)CCC(=O)O)C
InChI
InChI=1S/C12H14N4O3/c1-7-5-10(14-11(17)3-4-12(18)19)16-9(13-7)6-8(2)15-16/h5-6H,3-4H2,1-2H3,(H,14,17)(H,18,19)
InChIKey
ZCUQYXZHSIAVRV-UHFFFAOYSA-N
Compound name
4-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.1066 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.113876 158.2
[M+Na]+ 285.095818 167.8
[M-H]- 261.099324 158.6
[M+NH4]+ 280.140423 173.1
[M+K]+ 301.069758 164.6
[M+H-H2O]+ 245.103860 150.3
[M+HCOO]- 307.104801 178.4
[M+CH3COO]- 321.120451 197.3
[M+Na-2H]- 283.081266 162.0
[M]+ 262.10605142 161.9
[M]- 262.10714858 161.9
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.