CID 137951739

1-methyl-3-((4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)methyl)-1h-pyrazole

Structural Information

Molecular Formula
C17H23BN2O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)OCC3=NN(C=C3)C
InChI
InChI=1S/C17H23BN2O3/c1-16(2)17(3,4)23-18(22-16)13-6-8-15(9-7-13)21-12-14-10-11-20(5)19-14/h6-11H,12H2,1-5H3
InChIKey
HPGPXNYTVATPJM-UHFFFAOYSA-N
Compound name
1-methyl-3-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]methyl]pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.18018 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.18746 167.8
[M+Na]+ 337.16940 177.6
[M-H]- 313.17290 177.3
[M+NH4]+ 332.21400 185.1
[M+K]+ 353.14334 177.0
[M+H-H2O]+ 297.17744 161.1
[M+HCOO]- 359.17838 187.4
[M+CH3COO]- 373.19403 205.4
[M+Na-2H]- 335.15485 170.2
[M]+ 314.17963 173.4
[M]- 314.18073 173.4
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.