CID 11290256

155723-02-7

Structural Information

Molecular Formula
C13H13N3O3S2
SMILES
CC1=C(SC=N1)/C=C\C2=C(N3[C@@H]([C@@H](C3=O)N)SC2)C(=O)O
InChI
InChI=1S/C13H13N3O3S2/c1-6-8(21-5-15-6)3-2-7-4-20-12-9(14)11(17)16(12)10(7)13(18)19/h2-3,5,9,12H,4,14H2,1H3,(H,18,19)/b3-2-/t9-,12-/m1/s1
InChIKey
SDEIKNWRVHSKQN-FSZPXCJPSA-N
Compound name
(6R,7R)-7-amino-3-[(Z)-2-(4-methyl-1,3-thiazol-5-yl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

323.03983 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.04711 167.9
[M+Na]+ 346.02905 171.7
[M+NH4]+ 341.07365 170.1
[M+K]+ 362.00299 167.9
[M-H]- 322.03255 165.8
[M+Na-2H]- 344.01450 166.4
[M]+ 323.03928 167.1
[M]- 323.04038 167.1
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