CID 75487232

3-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-indazole hydrochloride

Structural Information

Molecular Formula
C16H21BN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(NN=C3C=C2)C4CC4
InChI
InChI=1S/C16H21BN2O2/c1-15(2)16(3,4)21-17(20-15)11-7-8-13-12(9-11)14(19-18-13)10-5-6-10/h7-10H,5-6H2,1-4H3,(H,18,19)
InChIKey
NCAQNXMJUUDQGU-UHFFFAOYSA-N
Compound name
3-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.16962 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.17690 162.9
[M+Na]+ 307.15884 175.5
[M-H]- 283.16234 172.6
[M+NH4]+ 302.20344 177.1
[M+K]+ 323.13278 173.3
[M+H-H2O]+ 267.16688 157.5
[M+HCOO]- 329.16782 180.0
[M+CH3COO]- 343.18347 175.7
[M+Na-2H]- 305.14429 166.4
[M]+ 284.16907 168.9
[M]- 284.17017 168.9
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.