CID 12889186

24209-43-6

Structural Information

Molecular Formula
C10H10N4O3S3
SMILES
C1C(=C(N2[C@H](S1)[C@@H](C2=O)N)C(=O)O)CSC3=NN=CS3
InChI
InChI=1S/C10H10N4O3S3/c11-5-7(15)14-6(9(16)17)4(1-18-8(5)14)2-19-10-13-12-3-20-10/h3,5,8H,1-2,11H2,(H,16,17)/t5-,8-/m1/s1
InChIKey
OBZPELDGSNYFTD-SVGQVSJJSA-N
Compound name
(6R,7R)-7-amino-8-oxo-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-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

14
Patents

329.99152 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.99880 158.4
[M+Na]+ 352.98074 163.2
[M-H]- 328.98424 158.0
[M+NH4]+ 348.02534 163.6
[M+K]+ 368.95468 160.1
[M+H-H2O]+ 312.98878 145.7
[M+HCOO]- 374.98972 158.5
[M+CH3COO]- 389.00537 206.7
[M+Na-2H]- 350.96619 156.1
[M]+ 329.99097 166.3
[M]- 329.99207 166.3
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