CID 59599447

877399-31-0

Structural Information

Molecular Formula
C18H30BN3O4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)CC3CN(C3)C(=O)OC(C)(C)C
InChI
InChI=1S/C18H30BN3O4/c1-16(2,3)24-15(23)21-9-13(10-21)11-22-12-14(8-20-22)19-25-17(4,5)18(6,7)26-19/h8,12-13H,9-11H2,1-7H3
InChIKey
DOHIZYSNAUZWCR-UHFFFAOYSA-N
Compound name
tert-butyl 3-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methyl]azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

363.23294 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.24022 182.4
[M+Na]+ 386.22216 186.5
[M+NH4]+ 381.26676 185.4
[M+K]+ 402.19610 186.3
[M-H]- 362.22566 182.0
[M+Na-2H]- 384.20761 184.0
[M]+ 363.23239 181.8
[M]- 363.23349 181.8
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

patents stripe