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

32
Patents

271.1492 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.15648 156.1
[M+Na]+ 294.13842 166.4
[M-H]- 270.14192 164.3
[M+NH4]+ 289.18302 173.5
[M+K]+ 310.11236 165.8
[M+H-H2O]+ 254.14646 148.4
[M+HCOO]- 316.14740 175.2
[M+CH3COO]- 330.16305 169.3
[M+Na-2H]- 292.12387 160.0
[M]+ 271.14865 159.3
[M]- 271.14975 159.3
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