CID 105522451

1782425-89-1

Structural Information

Molecular Formula
C13H19N3O4
SMILES
CC(C)(C)OC(=O)N1CCC2=C(C1)N(N=C2C(=O)O)C
InChI
InChI=1S/C13H19N3O4/c1-13(2,3)20-12(19)16-6-5-8-9(7-16)15(4)14-10(8)11(17)18/h5-7H2,1-4H3,(H,17,18)
InChIKey
AVGGLDVFEGDBHZ-UHFFFAOYSA-N
Compound name
1-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.13754 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.14482 166.3
[M+Na]+ 304.12676 173.7
[M-H]- 280.13026 165.7
[M+NH4]+ 299.17136 180.7
[M+K]+ 320.10070 172.1
[M+H-H2O]+ 264.13480 159.6
[M+HCOO]- 326.13574 179.3
[M+CH3COO]- 340.15139 197.5
[M+Na-2H]- 302.11221 167.3
[M]+ 281.13699 167.5
[M]- 281.13809 167.5
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.