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]+ 263.11388 158.2
[M+Na]+ 285.09582 167.8
[M-H]- 261.09932 158.6
[M+NH4]+ 280.14042 173.1
[M+K]+ 301.06976 164.6
[M+H-H2O]+ 245.10386 150.3
[M+HCOO]- 307.10480 178.4
[M+CH3COO]- 321.12045 197.3
[M+Na-2H]- 283.08127 162.0
[M]+ 262.10605 161.9
[M]- 262.10715 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.