CID 56776849

2096331-22-3

Structural Information

Molecular Formula
C19H23BClNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=NC(=C2)Cl)OCC3=CC=C(C=C3)OC
InChI
InChI=1S/C19H23BClNO4/c1-18(2)19(3,4)26-20(25-18)14-10-16(21)22-17(11-14)24-12-13-6-8-15(23-5)9-7-13/h6-11H,12H2,1-5H3
InChIKey
ZDVJYHZQPWGILS-UHFFFAOYSA-N
Compound name
2-chloro-6-[(4-methoxyphenyl)methoxy]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.14087 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.14815 182.9
[M+Na]+ 398.13009 193.5
[M-H]- 374.13359 193.6
[M+NH4]+ 393.17469 198.2
[M+K]+ 414.10403 191.6
[M+H-H2O]+ 358.13813 175.8
[M+HCOO]- 420.13907 197.8
[M+CH3COO]- 434.15472 215.5
[M+Na-2H]- 396.11554 185.9
[M]+ 375.14032 191.8
[M]- 375.14142 191.8
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.