CID 58229502

1201844-71-4

Structural Information

Molecular Formula
C19H25BN2O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=CN=C3C=C2)N4CCOCC4
InChI
InChI=1S/C19H25BN2O3/c1-18(2)19(3,4)25-20(24-18)14-5-6-16-15(13-14)17(7-8-21-16)22-9-11-23-12-10-22/h5-8,13H,9-12H2,1-4H3
InChIKey
YLBKJFUWDUMHAV-UHFFFAOYSA-N
Compound name
4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-4-yl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

340.19583 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.20311 180.2
[M+Na]+ 363.18505 188.0
[M-H]- 339.18855 189.7
[M+NH4]+ 358.22965 193.6
[M+K]+ 379.15899 187.6
[M+H-H2O]+ 323.19309 170.9
[M+HCOO]- 385.19403 192.4
[M+CH3COO]- 399.20968 190.7
[M+Na-2H]- 361.17050 183.2
[M]+ 340.19528 180.5
[M]- 340.19638 180.5
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