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

14
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

literature stripe

Patent stripe

patents stripe