CID 53488065

1706449-45-7

Structural Information

Molecular Formula
C15H23N3O4
SMILES
CCOC(=O)C1=C2CN(CCC2=NN1C)C(=O)OC(C)(C)C
InChI
InChI=1S/C15H23N3O4/c1-6-21-13(19)12-10-9-18(14(20)22-15(2,3)4)8-7-11(10)16-17(12)5/h6-9H2,1-5H3
InChIKey
WCJJZLZYQFJHDD-UHFFFAOYSA-N
Compound name
5-O-tert-butyl 3-O-ethyl 2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.16885 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.176126 174.9
[M+Na]+ 332.158068 182.0
[M-H]- 308.161574 175.4
[M+NH4]+ 327.202673 189.0
[M+K]+ 348.132008 180.8
[M+H-H2O]+ 292.166110 167.6
[M+HCOO]- 354.167051 188.8
[M+CH3COO]- 368.182701 205.2
[M+Na-2H]- 330.143516 175.4
[M]+ 309.16830142 178.6
[M]- 309.16939858 178.6
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.