CID 59392660

1092563-23-9

Structural Information

Molecular Formula
C18H26BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CC(=O)N3CCOCC3
InChI
InChI=1S/C18H26BNO4/c1-17(2)18(3,4)24-19(23-17)15-7-5-14(6-8-15)13-16(21)20-9-11-22-12-10-20/h5-8H,9-13H2,1-4H3
InChIKey
WPWLZNJSVHKWON-UHFFFAOYSA-N
Compound name
1-morpholin-4-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

331.1955 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.20278 176.6
[M+Na]+ 354.18472 182.4
[M-H]- 330.18822 186.4
[M+NH4]+ 349.22932 190.6
[M+K]+ 370.15866 183.6
[M+H-H2O]+ 314.19276 169.7
[M+HCOO]- 376.19370 190.3
[M+CH3COO]- 390.20935 207.7
[M+Na-2H]- 352.17017 178.5
[M]+ 331.19495 177.2
[M]- 331.19605 177.2
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