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 170.1
[M+Na]+ 329.12792 176.5
[M+NH4]+ 324.17252 175.9
[M+K]+ 345.10186 172.7
[M-H]- 305.13142 172.4
[M+Na-2H]- 327.11337 174.0
[M]+ 306.13815 171.1
[M]- 306.13925 171.1
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.