CID 121552363

Tert-butyl 1-(piperidin-4-yl)-1h,4h,5h,6h-pyrrolo[3,4-c]pyrazole-5-carboxylate

Structural Information

Molecular Formula
C15H24N4O2
SMILES
CC(C)(C)OC(=O)N1CC2=C(C1)N(N=C2)C3CCNCC3
InChI
InChI=1S/C15H24N4O2/c1-15(2,3)21-14(20)18-9-11-8-17-19(13(11)10-18)12-4-6-16-7-5-12/h8,12,16H,4-7,9-10H2,1-3H3
InChIKey
HVBLVYYREZFLFC-UHFFFAOYSA-N
Compound name
tert-butyl 1-piperidin-4-yl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.1899 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.19718 170.1
[M+Na]+ 315.17912 177.7
[M+NH4]+ 310.22372 175.6
[M+K]+ 331.15306 177.8
[M-H]- 291.18262 169.0
[M+Na-2H]- 313.16457 171.6
[M]+ 292.18935 170.4
[M]- 292.19045 170.4
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.