CID 66682275

1246765-30-9

Structural Information

Molecular Formula
C14H20BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)C(=O)N)OC
InChI
InChI=1S/C14H20BNO4/c1-13(2)14(3,4)20-15(19-13)9-6-7-10(12(16)17)11(8-9)18-5/h6-8H,1-5H3,(H2,16,17)
InChIKey
ANWHYJWXGHYGKC-UHFFFAOYSA-N
Compound name
2-methoxy-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

16
Patents

277.14853 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.15581 159.0
[M+Na]+ 300.13775 167.9
[M-H]- 276.14125 167.5
[M+NH4]+ 295.18235 178.3
[M+K]+ 316.11169 168.6
[M+H-H2O]+ 260.14579 154.6
[M+HCOO]- 322.14673 179.6
[M+CH3COO]- 336.16238 202.0
[M+Na-2H]- 298.12320 162.7
[M]+ 277.14798 162.8
[M]- 277.14908 162.8
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