CID 148293990

Pf-07038124

Structural Information

Molecular Formula
C18H22BNO4
SMILES
B1(C[C@@H](CO1)C2=CN=CC(=C2)C3=CC(=C(C=C3)OC)OCCC)O
InChI
InChI=1S/C18H22BNO4/c1-3-6-23-18-8-13(4-5-17(18)22-2)14-7-15(11-20-10-14)16-9-19(21)24-12-16/h4-5,7-8,10-11,16,21H,3,6,9,12H2,1-2H3/t16-/m0/s1
InChIKey
KXVKOYCGACSUPP-INIZCTEOSA-N
Compound name
3-[(4R)-2-hydroxyoxaborolan-4-yl]-5-(4-methoxy-3-propoxyphenyl)pyridine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

34
Patents

327.16418 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.17146 177.5
[M+Na]+ 350.15340 190.8
[M+NH4]+ 345.19800 184.6
[M+K]+ 366.12734 186.0
[M-H]- 326.15690 183.2
[M+Na-2H]- 348.13885 184.1
[M]+ 327.16363 181.0
[M]- 327.16473 181.0
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