CID 132312870

2126159-61-1

Structural Information

Molecular Formula
C14H18N4O4
SMILES
CC(C)(C)OC(=O)NCCC1=CN2C(=C(C=N2)C(=O)O)N=C1
InChI
InChI=1S/C14H18N4O4/c1-14(2,3)22-13(21)15-5-4-9-6-16-11-10(12(19)20)7-17-18(11)8-9/h6-8H,4-5H2,1-3H3,(H,15,21)(H,19,20)
InChIKey
JDGMODJMWJDCEC-UHFFFAOYSA-N
Compound name
6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.1328 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.140076 171.1
[M+Na]+ 329.122018 179.2
[M-H]- 305.125524 171.2
[M+NH4]+ 324.166623 184.1
[M+K]+ 345.095958 176.8
[M+H-H2O]+ 289.130060 163.3
[M+HCOO]- 351.131001 189.2
[M+CH3COO]- 365.146651 203.2
[M+Na-2H]- 327.107466 175.8
[M]+ 306.13225142 175.8
[M]- 306.13334858 175.8
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.