CID 72212689

1798843-08-9

Structural Information

Molecular Formula
C17H28BN3O4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C3CN(CCN3N=C2)C(=O)OC(C)(C)C
InChI
InChI=1S/C17H28BN3O4/c1-15(2,3)23-14(22)20-8-9-21-13(11-20)12(10-19-21)18-24-16(4,5)17(6,7)25-18/h10H,8-9,11H2,1-7H3
InChIKey
LALHIGTULYBLSQ-UHFFFAOYSA-N
Compound name
tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

349.2173 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.22458 179.8
[M+Na]+ 372.20652 187.9
[M-H]- 348.21002 185.1
[M+NH4]+ 367.25112 195.5
[M+K]+ 388.18046 188.6
[M+H-H2O]+ 332.21456 174.4
[M+HCOO]- 394.21550 191.2
[M+CH3COO]- 408.23115 211.7
[M+Na-2H]- 370.19197 181.2
[M]+ 349.21675 183.9
[M]- 349.21785 183.9
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