CID 59276278

1158680-98-8

Structural Information

Molecular Formula
C18H25BN2O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)C=NN3C4CCCCO4
InChI
InChI=1S/C18H25BN2O3/c1-17(2)18(3,4)24-19(23-17)14-9-8-13-12-20-21(15(13)11-14)16-7-5-6-10-22-16/h8-9,11-12,16H,5-7,10H2,1-4H3
InChIKey
SXVSMJSODQLQDT-UHFFFAOYSA-N
Compound name
1-(oxan-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

328.19583 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.20311 173.7
[M+Na]+ 351.18505 182.7
[M-H]- 327.18855 183.9
[M+NH4]+ 346.22965 189.6
[M+K]+ 367.15899 182.3
[M+H-H2O]+ 311.19309 166.5
[M+HCOO]- 373.19403 188.6
[M+CH3COO]- 387.20968 185.5
[M+Na-2H]- 349.17050 175.6
[M]+ 328.19528 176.0
[M]- 328.19638 176.0
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