CID 112756468

2586056-48-4

Structural Information

Molecular Formula
C14H17BN2O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)C(=O)NN=C3
InChI
InChI=1S/C14H17BN2O3/c1-13(2)14(3,4)20-15(19-13)10-5-6-11-9(7-10)8-16-17-12(11)18/h5-8H,1-4H3,(H,17,18)
InChIKey
IDLVZDSCWSQWRD-UHFFFAOYSA-N
Compound name
6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-phthalazin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.1332 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.14048 158.6
[M+Na]+ 295.12242 172.6
[M+NH4]+ 290.16702 168.6
[M+K]+ 311.09636 165.4
[M-H]- 271.12592 163.4
[M+Na-2H]- 293.10787 166.0
[M]+ 272.13265 162.3
[M]- 272.13375 162.3
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

No patent data available for this compound.