CID 137838430

2095410-97-0

Structural Information

Molecular Formula
C15H21N5O3
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)N2C3=C(C=N2)C(=O)NC=N3
InChI
InChI=1S/C15H21N5O3/c1-15(2,3)23-14(22)19-6-4-10(5-7-19)20-12-11(8-18-20)13(21)17-9-16-12/h8-10H,4-7H2,1-3H3,(H,16,17,21)
InChIKey
MUYSDAPJDXCYKS-UHFFFAOYSA-N
Compound name
tert-butyl 4-(4-oxo-5H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.16443 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.17171 178.4
[M+Na]+ 342.15365 186.5
[M-H]- 318.15715 178.4
[M+NH4]+ 337.19825 188.0
[M+K]+ 358.12759 182.0
[M+H-H2O]+ 302.16169 168.5
[M+HCOO]- 364.16263 190.0
[M+CH3COO]- 378.17828 202.5
[M+Na-2H]- 340.13910 181.0
[M]+ 319.16388 177.8
[M]- 319.16498 177.8
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.