CID 71306540

N-benzyloxy-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzamide

Structural Information

Molecular Formula
C20H24BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(=O)NOCC3=CC=CC=C3
InChI
InChI=1S/C20H24BNO4/c1-19(2)20(3,4)26-21(25-19)17-12-10-16(11-13-17)18(23)22-24-14-15-8-6-5-7-9-15/h5-13H,14H2,1-4H3,(H,22,23)
InChIKey
XECXLZBBBRYLFW-UHFFFAOYSA-N
Compound name
N-phenylmethoxy-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

0
Patents

353.17984 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.18712 182.3
[M+Na]+ 376.16906 189.2
[M-H]- 352.17256 193.7
[M+NH4]+ 371.21366 197.9
[M+K]+ 392.14300 188.6
[M+H-H2O]+ 336.17710 175.2
[M+HCOO]- 398.17804 202.9
[M+CH3COO]- 412.19369 214.4
[M+Na-2H]- 374.15451 186.1
[M]+ 353.17929 186.1
[M]- 353.18039 186.1
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.