CID 139021087

(3-{[(4-carbamoyloxan-4-yl)methyl]carbamoyl}phenyl)boronic acid

Structural Information

Molecular Formula
C14H19BN2O5
SMILES
B(C1=CC(=CC=C1)C(=O)NCC2(CCOCC2)C(=O)N)(O)O
InChI
InChI=1S/C14H19BN2O5/c16-13(19)14(4-6-22-7-5-14)9-17-12(18)10-2-1-3-11(8-10)15(20)21/h1-3,8,20-21H,4-7,9H2,(H2,16,19)(H,17,18)
InChIKey
NERBWSBADQHDPV-UHFFFAOYSA-N
Compound name
[3-[(4-carbamoyloxan-4-yl)methylcarbamoyl]phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.1387 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.14598 169.7
[M+Na]+ 329.12792 171.6
[M-H]- 305.13142 172.7
[M+NH4]+ 324.17252 181.8
[M+K]+ 345.10186 171.0
[M+H-H2O]+ 289.13596 162.5
[M+HCOO]- 351.13690 185.3
[M+CH3COO]- 365.15255 202.6
[M+Na-2H]- 327.11337 171.3
[M]+ 306.13815 164.0
[M]- 306.13925 164.0
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.