CID 44119534

N-(thiazoline-2-yl) 4-boronobenzamide

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 152.6
[M+Na]+ 273.04757 158.6
[M-H]- 249.05107 155.6
[M+NH4]+ 268.09217 168.8
[M+K]+ 289.02151 155.2
[M+H-H2O]+ 233.05561 145.9
[M+HCOO]- 295.05655 167.9
[M+CH3COO]- 309.07220 185.9
[M+Na-2H]- 271.03302 153.0
[M]+ 250.05780 151.1
[M]- 250.05890 151.1
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

patents stripe