CID 69346852

478623-91-5

Structural Information

Molecular Formula
C12H17N3O3
SMILES
CC(C)(C)OC(=O)N1CC2=C(C=NN2C)C(=O)C1
InChI
InChI=1S/C12H17N3O3/c1-12(2,3)18-11(17)15-6-9-8(10(16)7-15)5-13-14(9)4/h5H,6-7H2,1-4H3
InChIKey
SDDNHCVVOSYLCT-UHFFFAOYSA-N
Compound name
tert-butyl 1-methyl-4-oxo-5,7-dihydropyrazolo[3,4-c]pyridine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

251.127 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.13428 157.6
[M+Na]+ 274.11622 167.5
[M+NH4]+ 269.16082 163.1
[M+K]+ 290.09016 165.8
[M-H]- 250.11972 155.6
[M+Na-2H]- 272.10167 159.4
[M]+ 251.12645 158.1
[M]- 251.12755 158.1
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

patents stripe