CID 9600412

[(2-amino-alpha-methoxyimino-4-thiazolylacetyl)amino]methylboronic acid

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-XGICHPGQSA-N
Compound name
[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]methylboronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

11
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

literature stripe

Patent stripe

patents stripe