CID 44119534

850568-30-8

Structural Information

Molecular Formula
C10H11BN2O3S
SMILES
B(C1=CC=C(C=C1)C(=O)NC2=NCCS2)(O)O
InChI
InChI=1S/C10H11BN2O3S/c14-9(13-10-12-5-6-17-10)7-1-3-8(4-2-7)11(15)16/h1-4,15-16H,5-6H2,(H,12,13,14)
InChIKey
OJFHXSIPAXFCAJ-UHFFFAOYSA-N
Compound name
[4-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

250.05835 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.06563 153.0
[M+Na]+ 273.04757 161.7
[M+NH4]+ 268.09217 159.8
[M+K]+ 289.02151 157.9
[M-H]- 249.05107 154.4
[M+Na-2H]- 271.03302 157.7
[M]+ 250.05780 154.7
[M]- 250.05890 154.7
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