CID 6436168

Cefluprenam

Structural Information

Molecular Formula
C20H26FN8O6S2
SMILES
CC[N+](C)(C/C=C/C1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\OCF)/C3=NSC(=N3)N)SC1)C(=O)O)CC(=O)N
InChI
InChI=1S/C20H25FN8O6S2/c1-3-29(2,7-11(22)30)6-4-5-10-8-36-18-13(17(32)28(18)14(10)19(33)34)24-16(31)12(26-35-9-21)15-25-20(23)37-27-15/h4-5,13,18H,3,6-9H2,1-2H3,(H5-,22,23,24,25,27,30,31,33,34)/p+1/b5-4+,26-12-/t13-,18-,29?/m1/s1
InChIKey
XAKKNLNAJBNLPC-MAYKBZFQSA-O
Compound name
(2-amino-2-oxoethyl)-[(E)-3-[(6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)acetyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]prop-2-enyl]-ethyl-methylazanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

12
References

1371
Patents

557.1401 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 558.14738 219.6
[M+Na]+ 580.12932 214.5
[M-H]- 556.13282 218.7
[M+NH4]+ 575.17392 213.7
[M+K]+ 596.10326 209.9
[M+H-H2O]+ 540.13736 203.7
[M+HCOO]- 602.13830 221.7
[M+CH3COO]- 616.15395 253.8
[M+Na-2H]- 578.11477 219.2
[M]+ 557.13955 225.4
[M]- 557.14065 225.4
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