CID 132398747

Tert-butyl n-{[1-methyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrazol-4-yl]methyl}carbamate

Structural Information

Molecular Formula
C16H28BN3O4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=NN2C)CNC(=O)OC(C)(C)C
InChI
InChI=1S/C16H28BN3O4/c1-14(2,3)22-13(21)18-9-11-10-19-20(8)12(11)17-23-15(4,5)16(6,7)24-17/h10H,9H2,1-8H3,(H,18,21)
InChIKey
RVLMHFSSHAPMNZ-UHFFFAOYSA-N
Compound name
tert-butyl N-[[1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-4-yl]methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.2173 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.22458 174.9
[M+Na]+ 360.20652 182.6
[M+NH4]+ 355.25112 181.9
[M+K]+ 376.18046 180.9
[M-H]- 336.21002 176.9
[M+Na-2H]- 358.19197 178.9
[M]+ 337.21675 176.6
[M]- 337.21785 176.6
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.