CID 2760141

4-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]morpholine

Structural Information

Molecular Formula
C17H24BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(=O)N3CCOCC3
InChI
InChI=1S/C17H24BNO4/c1-16(2)17(3,4)23-18(22-16)14-7-5-13(6-8-14)15(20)19-9-11-21-12-10-19/h5-8H,9-12H2,1-4H3
InChIKey
ZOPBEWUNCNLYSD-UHFFFAOYSA-N
Compound name
morpholin-4-yl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

317
Patents

317.17984 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.18712 172.1
[M+Na]+ 340.16906 178.3
[M-H]- 316.17256 182.1
[M+NH4]+ 335.21366 186.7
[M+K]+ 356.14300 179.7
[M+H-H2O]+ 300.17710 165.3
[M+HCOO]- 362.17804 186.1
[M+CH3COO]- 376.19369 204.8
[M+Na-2H]- 338.15451 174.5
[M]+ 317.17929 172.4
[M]- 317.18039 172.4
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

patents stripe