CID 132371546

3-[3-(pyrrolidin-1-yl)propoxy]-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

Structural Information

Molecular Formula
C18H29BN2O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CN=C2)OCCCN3CCCC3
InChI
InChI=1S/C18H29BN2O3/c1-17(2)18(3,4)24-19(23-17)15-12-16(14-20-13-15)22-11-7-10-21-8-5-6-9-21/h12-14H,5-11H2,1-4H3
InChIKey
PUFMWVILFOGTBO-UHFFFAOYSA-N
Compound name
3-(3-pyrrolidin-1-ylpropoxy)-5-(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

332.2271 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.23438 175.9
[M+Na]+ 355.21632 182.2
[M-H]- 331.21982 183.9
[M+NH4]+ 350.26092 191.8
[M+K]+ 371.19026 181.7
[M+H-H2O]+ 315.22436 168.5
[M+HCOO]- 377.22530 192.1
[M+CH3COO]- 391.24095 207.8
[M+Na-2H]- 353.20177 176.3
[M]+ 332.22655 178.4
[M]- 332.22765 178.4
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.