CID 6323277

Chembl3347499

Structural Information

Molecular Formula
C7H11BN4O4S
SMILES
B(CNC(=O)/C(=N/OC)/C1=CSC(=N1)N)(O)O
InChI
InChI=1S/C7H11BN4O4S/c1-16-12-5(4-2-17-7(9)11-4)6(13)10-3-8(14)15/h2,14-15H,3H2,1H3,(H2,9,11)(H,10,13)/b12-5+
InChIKey
FMYGJTQJYFMFCR-LFYBBSHMSA-N
Compound name
[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]methylboronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.05942 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.06670 152.8
[M+Na]+ 281.04864 157.6
[M-H]- 257.05214 153.5
[M+NH4]+ 276.09324 168.2
[M+K]+ 297.02258 156.3
[M+H-H2O]+ 241.05668 145.2
[M+HCOO]- 303.05762 170.8
[M+CH3COO]- 317.07327 195.6
[M+Na-2H]- 279.03409 152.7
[M]+ 258.05887 153.0
[M]- 258.05997 153.0
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.