CID 65633

Ritipenem

Structural Information

Molecular Formula
C10H12N2O6S
SMILES
C[C@H]([C@@H]1[C@@H]2N(C1=O)C(=C(S2)COC(=O)N)C(=O)O)O
InChI
InChI=1S/C10H12N2O6S/c1-3(13)5-7(14)12-6(9(15)16)4(19-8(5)12)2-18-10(11)17/h3,5,8,13H,2H2,1H3,(H2,11,17)(H,15,16)/t3-,5+,8-/m1/s1
InChIKey
IKQNRQOUOZJHTR-UWBRJAPDSA-N
Compound name
(5R,6S)-3-(carbamoyloxymethyl)-6-[(1R)-1-hydroxyethyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

69
References

2168
Patents

288.0416 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.04888 162.3
[M+Na]+ 311.03082 165.6
[M-H]- 287.03432 161.8
[M+NH4]+ 306.07542 170.6
[M+K]+ 327.00476 167.5
[M+H-H2O]+ 271.03886 150.4
[M+HCOO]- 333.03980 172.2
[M+CH3COO]- 347.05545 200.6
[M+Na-2H]- 309.01627 157.6
[M]+ 288.04105 172.9
[M]- 288.04215 172.9
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.