CID 9808944

635292-67-0

Structural Information

Molecular Formula
C19H24FN11O5S2
SMILES
CN(C(=N)N1CCNCC1)/N=C/C2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OCF)/C4=NSC(=N4)N)SC2)C(=O)O
InChI
InChI=1S/C19H24FN11O5S2/c1-29(19(22)30-4-2-23-3-5-30)24-6-9-7-37-16-11(15(33)31(16)12(9)17(34)35)25-14(32)10(27-36-8-20)13-26-18(21)38-28-13/h6,11,16,22-23H,2-5,7-8H2,1H3,(H,25,32)(H,34,35)(H2,21,26,28)/b22-19?,24-6+,27-10-/t11-,16-/m1/s1
InChIKey
VNZAURNTTOSQRE-XQMVPPGESA-N
Compound name
(6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)acetyl]amino]-3-[(E)-[methyl(piperazine-1-carboximidoyl)hydrazinylidene]methyl]-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

4
References

0
Patents

569.13873 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 570.14601 217.7
[M+Na]+ 592.12795 212.2
[M+NH4]+ 587.17255 212.8
[M+K]+ 608.10189 213.9
[M-H]- 568.13145 213.7
[M+Na-2H]- 590.11340 214.4
[M]+ 569.13818 213.9
[M]- 569.13928 213.9
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

No patent data available for this compound.