CID 68299354

1384951-86-3

Structural Information

Molecular Formula
C14H18BN3O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)N3C=NC=N3
InChI
InChI=1S/C14H18BN3O2/c1-13(2)14(3,4)20-15(19-13)11-5-7-12(8-6-11)18-10-16-9-17-18/h5-10H,1-4H3
InChIKey
NZVOWAHQFGJEIN-UHFFFAOYSA-N
Compound name
1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

271.1492 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.15648 157.2
[M+Na]+ 294.13842 170.7
[M+NH4]+ 289.18302 167.2
[M+K]+ 310.11236 165.5
[M-H]- 270.14192 163.1
[M+Na-2H]- 292.12387 166.6
[M]+ 271.14865 161.2
[M]- 271.14975 161.2
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