CID 165830246

En300-7544279

Structural Information

Molecular Formula
C20H30BNO6
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)N(C)C(=O)OC(C)(C)C)C(=O)OC
InChI
InChI=1S/C20H30BNO6/c1-18(2,3)26-17(24)22(8)15-11-13(16(23)25-9)10-14(12-15)21-27-19(4,5)20(6,7)28-21/h10-12H,1-9H3
InChIKey
KGBNUHXHPZKELT-UHFFFAOYSA-N
Compound name
methyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.2166 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.22388 186.0
[M+Na]+ 414.20582 192.7
[M-H]- 390.20932 195.8
[M+NH4]+ 409.25042 201.6
[M+K]+ 430.17976 196.2
[M+H-H2O]+ 374.21386 182.1
[M+HCOO]- 436.21480 203.9
[M+CH3COO]- 450.23045 226.2
[M+Na-2H]- 412.19127 188.3
[M]+ 391.21605 195.1
[M]- 391.21715 195.1
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.