CID 57812584

1175273-55-8

Structural Information

Molecular Formula
C18H30BN3O4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)[C@H]3CCN(C3)C(=O)OC(C)(C)C
InChI
InChI=1S/C18H30BN3O4/c1-16(2,3)24-15(23)21-9-8-14(12-21)22-11-13(10-20-22)19-25-17(4,5)18(6,7)26-19/h10-11,14H,8-9,12H2,1-7H3/t14-/m0/s1
InChIKey
IGWFVUAHNXWIFY-AWEZNQCLSA-N
Compound name
tert-butyl (3S)-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

363.23294 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.24022 180.2
[M+Na]+ 386.22216 187.3
[M-H]- 362.22566 188.2
[M+NH4]+ 381.26676 195.8
[M+K]+ 402.19610 188.5
[M+H-H2O]+ 346.23020 175.6
[M+HCOO]- 408.23114 193.9
[M+CH3COO]- 422.24679 213.0
[M+Na-2H]- 384.20761 178.5
[M]+ 363.23239 184.1
[M]- 363.23349 184.1
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