CID 165899565

Rac-1-(methoxymethyl)-4-[(1r,2r)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]-1h-indazole

Structural Information

Molecular Formula
C18H25BN2O3
SMILES
B1(OC(C(O1)(C)C)(C)C)[C@@H]2C[C@H]2C3=C4C=NN(C4=CC=C3)COC
InChI
InChI=1S/C18H25BN2O3/c1-17(2)18(3,4)24-19(23-17)15-9-13(15)12-7-6-8-16-14(12)10-20-21(16)11-22-5/h6-8,10,13,15H,9,11H2,1-5H3/t13-,15+/m0/s1
InChIKey
XBUIOWXVISEWOB-DZGCQCFKSA-N
Compound name
1-(methoxymethyl)-4-[(1R,2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]indazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.19583 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.20311 175.1
[M+Na]+ 351.18505 187.8
[M-H]- 327.18855 186.1
[M+NH4]+ 346.22965 188.4
[M+K]+ 367.15899 186.4
[M+H-H2O]+ 311.19309 169.5
[M+HCOO]- 373.19403 192.9
[M+CH3COO]- 387.20968 187.7
[M+Na-2H]- 349.17050 177.4
[M]+ 328.19528 185.1
[M]- 328.19638 185.1
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.