CID 6263274

Ceftiofur

Structural Information

Molecular Formula
C19H17N5O7S3
SMILES
CO/N=C(/C1=CSC(=N1)N)\C(=O)NC2C3N(C2=O)C(=C(CS3)CSC(=O)C4=CC=CO4)C(=O)O
InChI
InChI=1S/C19H17N5O7S3/c1-30-23-11(9-7-34-19(20)21-9)14(25)22-12-15(26)24-13(17(27)28)8(5-32-16(12)24)6-33-18(29)10-3-2-4-31-10/h2-4,7,12,16H,5-6H2,1H3,(H2,20,21)(H,22,25)(H,27,28)/b23-11-
InChIKey
ZBHXIWJRIFEVQY-KSEXSDGBSA-N
Compound name
7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(furan-2-carbonylsulfanylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

845
References

8840
Patents

523.029 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 524.03628 211.8
[M+Na]+ 546.01822 211.1
[M+NH4]+ 541.06282 210.4
[M+K]+ 561.99216 210.7
[M-H]- 522.02172 211.0
[M+Na-2H]- 544.00367 209.5
[M]+ 523.02845 210.8
[M]- 523.02955 210.8
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