CID 5491955

Cefozopran

Structural Information

Molecular Formula
C19H18N9O5S2
SMILES
CO/N=C(/C1=NSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4=C5C=CC=NN5C=C4)C(=O)O
InChI
InChI=1S/C19H17N9O5S2/c1-33-24-11(14-23-19(20)35-25-14)15(29)22-12-16(30)28-13(18(31)32)9(8-34-17(12)28)7-26-5-6-27-10(26)3-2-4-21-27/h2-6,12,17H,7-8H2,1H3,(H3-,20,22,23,25,29,31,32)/p+1/b24-11-/t12-,17-/m1/s1
InChIKey
QDUIJCOKQCCXQY-WHJQOFBOSA-O
Compound name
(6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methoxyiminoacetyl]amino]-3-(imidazo[1,2-b]pyridazin-1-ium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

133
References

7702
Patents

516.0872 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 517.09448 202.0
[M+Na]+ 539.07642 206.7
[M+NH4]+ 534.12102 201.4
[M+K]+ 555.05036 207.9
[M-H]- 515.07992 201.7
[M+Na-2H]- 537.06187 202.8
[M]+ 516.08665 201.8
[M]- 516.08775 201.8
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.