CID 494604

Nsc627774

Structural Information

Molecular Formula
C18H16BNO2
SMILES
B(C1=CC=CC=C1)(C2=CC=CC=C2)OC3=C(NC=CC3=O)C
InChI
InChI=1S/C18H16BNO2/c1-14-18(17(21)12-13-20-14)22-19(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-13H,1H3,(H,20,21)
InChIKey
ASAFTXMFLNEBCI-UHFFFAOYSA-N
Compound name
3-diphenylboranyloxy-2-methyl-1H-pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.1274 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.13468 165.8
[M+Na]+ 312.11662 172.9
[M-H]- 288.12012 172.8
[M+NH4]+ 307.16122 178.6
[M+K]+ 328.09056 167.2
[M+H-H2O]+ 272.12466 156.2
[M+HCOO]- 334.12560 186.6
[M+CH3COO]- 348.14125 176.8
[M+Na-2H]- 310.10207 170.8
[M]+ 289.12685 164.7
[M]- 289.12795 164.7
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.