CID 441130

Meropenem

Structural Information

Molecular Formula
C17H25N3O5S
SMILES
C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)C(=O)N(C)C)C(=O)O)[C@@H](C)O
InChI
InChI=1S/C17H25N3O5S/c1-7-12-11(8(2)21)16(23)20(12)13(17(24)25)14(7)26-9-5-10(18-6-9)15(22)19(3)4/h7-12,18,21H,5-6H2,1-4H3,(H,24,25)/t7-,8-,9+,10+,11-,12-/m1/s1
InChIKey
DMJNNHOOLUXYBV-PQTSNVLCSA-N
Compound name
(4R,5S,6S)-3-[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

6101
References

42331
Patents

383.1515 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.15878 193.4
[M+Na]+ 406.14072 194.3
[M-H]- 382.14422 195.1
[M+NH4]+ 401.18532 198.9
[M+K]+ 422.11466 195.7
[M+H-H2O]+ 366.14876 182.0
[M+HCOO]- 428.14970 198.8
[M+CH3COO]- 442.16535 222.0
[M+Na-2H]- 404.12617 182.6
[M]+ 383.15095 202.7
[M]- 383.15205 202.7
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.