CID 104838

Imipenem

Structural Information

Molecular Formula
C12H17N3O4S
SMILES
C[C@H]([C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)O)SCCN=CN)O
InChI
InChI=1S/C12H17N3O4S/c1-6(16)9-7-4-8(20-3-2-14-5-13)10(12(18)19)15(7)11(9)17/h5-7,9,16H,2-4H2,1H3,(H2,13,14)(H,18,19)/t6-,7-,9-/m1/s1
InChIKey
ZSKVGTPCRGIANV-ZXFLCMHBSA-N
Compound name
(5R,6S)-3-[2-(aminomethylideneamino)ethylsulfanyl]-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

7627
References

50710
Patents

299.09396 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.10124 173.2
[M+Na]+ 322.08318 173.5
[M+NH4]+ 317.12778 173.5
[M+K]+ 338.05712 172.8
[M-H]- 298.08668 168.4
[M+Na-2H]- 320.06863 168.3
[M]+ 299.09341 170.3
[M]- 299.09451 170.3
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