CID 494605

Nsc627775

Structural Information

Molecular Formula
C19H18BNO2
SMILES
B(C1=CC=CC=C1)(C2=CC=CC=C2)OC3=C(N(C=CC3=O)C)C
InChI
InChI=1S/C19H18BNO2/c1-15-19(18(22)13-14-21(15)2)23-20(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-14H,1-2H3
InChIKey
GFYTWMPZZWKYPW-UHFFFAOYSA-N
Compound name
3-diphenylboranyloxy-1,2-dimethylpyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.14307 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.15035 170.2
[M+Na]+ 326.13229 178.1
[M-H]- 302.13579 178.8
[M+NH4]+ 321.17689 183.4
[M+K]+ 342.10623 173.2
[M+H-H2O]+ 286.14033 160.2
[M+HCOO]- 348.14127 192.1
[M+CH3COO]- 362.15692 205.6
[M+Na-2H]- 324.11774 174.3
[M]+ 303.14252 171.6
[M]- 303.14362 171.6
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.