CID 57415696

[4-(4'-aminomorpholine-1-carbonyl)phenyl] boronic acid pinacol ester

Structural Information

Molecular Formula
C17H25BN2O4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(=O)NN3CCOCC3
InChI
InChI=1S/C17H25BN2O4/c1-16(2)17(3,4)24-18(23-16)14-7-5-13(6-8-14)15(21)19-20-9-11-22-12-10-20/h5-8H,9-12H2,1-4H3,(H,19,21)
InChIKey
RZFBDZSIUFOHQK-UHFFFAOYSA-N
Compound name
N-morpholin-4-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

332.19073 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.19801 177.3
[M+Na]+ 355.17995 182.5
[M-H]- 331.18345 187.0
[M+NH4]+ 350.22455 190.8
[M+K]+ 371.15389 183.8
[M+H-H2O]+ 315.18799 170.0
[M+HCOO]- 377.18893 192.2
[M+CH3COO]- 391.20458 209.9
[M+Na-2H]- 353.16540 180.1
[M]+ 332.19018 176.9
[M]- 332.19128 176.9
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