CID 6321416

Cefuroxime axetil

Structural Information

Molecular Formula
C20H22N4O10S
SMILES
CC(OC(=O)C)OC(=O)C1=C(CS[C@H]2N1C(=O)[C@H]2NC(=O)/C(=N\OC)/C3=CC=CO3)COC(=O)N
InChI
InChI=1S/C20H22N4O10S/c1-9(25)33-10(2)34-19(28)15-11(7-32-20(21)29)8-35-18-14(17(27)24(15)18)22-16(26)13(23-30-3)12-5-4-6-31-12/h4-6,10,14,18H,7-8H2,1-3H3,(H2,21,29)(H,22,26)/b23-13-/t10?,14-,18-/m1/s1
InChIKey
KEJCWVGMRLCZQQ-YJBYXUATSA-N
Compound name
1-acetyloxyethyl (6R,7R)-3-(carbamoyloxymethyl)-7-[[(2Z)-2-(furan-2-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

343
References

11323
Patents

510.10565 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 511.11293 216.1
[M+Na]+ 533.09487 212.1
[M-H]- 509.09837 221.1
[M+NH4]+ 528.13947 213.7
[M+K]+ 549.06881 219.5
[M+H-H2O]+ 493.10291 200.0
[M+HCOO]- 555.10385 226.1
[M+CH3COO]- 569.11950 250.2
[M+Na-2H]- 531.08032 210.4
[M]+ 510.10510 231.4
[M]- 510.10620 231.4
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