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]+ 307.14008 171.1
[M+Na]+ 329.12202 179.2
[M-H]- 305.12552 171.2
[M+NH4]+ 324.16662 184.1
[M+K]+ 345.09596 176.8
[M+H-H2O]+ 289.13006 163.3
[M+HCOO]- 351.13100 189.2
[M+CH3COO]- 365.14665 203.2
[M+Na-2H]- 327.10747 175.8
[M]+ 306.13225 175.8
[M]- 306.13335 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.