CID 5487888

Cefetamet

Structural Information

Molecular Formula
C14H15N5O5S2
SMILES
CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\OC)/C3=CSC(=N3)N)SC1)C(=O)O
InChI
InChI=1S/C14H15N5O5S2/c1-5-3-25-12-8(11(21)19(12)9(5)13(22)23)17-10(20)7(18-24-2)6-4-26-14(15)16-6/h4,8,12H,3H2,1-2H3,(H2,15,16)(H,17,20)(H,22,23)/b18-7-/t8-,12-/m1/s1
InChIKey
MQLRYUCJDNBWMV-GHXIOONMSA-N
Compound name
(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-methyl-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

78
References

7080
Patents

397.05145 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.05873 189.4
[M+Na]+ 420.04067 189.2
[M+NH4]+ 415.08527 188.9
[M+K]+ 436.01461 188.1
[M-H]- 396.04417 186.4
[M+Na-2H]- 418.02612 186.4
[M]+ 397.05090 187.4
[M]- 397.05200 187.4
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