CID 5287902

Degraded cephaloridine

Structural Information

Molecular Formula
C14H16N2O4S2
SMILES
CC1=C(N[C@H](SC1)[C@@H](C=O)NC(=O)CC2=CC=CS2)C(=O)O
InChI
InChI=1S/C14H16N2O4S2/c1-8-7-22-13(16-12(8)14(19)20)10(6-17)15-11(18)5-9-3-2-4-21-9/h2-4,6,10,13,16H,5,7H2,1H3,(H,15,18)(H,19,20)/t10-,13-/m1/s1
InChIKey
SFVACKBZMIZHCK-ZWNOBZJWSA-N
Compound name
(2R)-5-methyl-2-[(1R)-2-oxo-1-[(2-thiophen-2-ylacetyl)amino]ethyl]-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

340.05515 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.06243 175.5
[M+Na]+ 363.04437 179.5
[M-H]- 339.04787 177.1
[M+NH4]+ 358.08897 187.8
[M+K]+ 379.01831 174.2
[M+H-H2O]+ 323.05241 169.0
[M+HCOO]- 385.05335 182.0
[M+CH3COO]- 399.06900 203.7
[M+Na-2H]- 361.02982 171.1
[M]+ 340.05460 174.6
[M]- 340.05570 174.6
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.