CID 3046219

Brn 5391925

Structural Information

Molecular Formula
C15H22N2O5S
SMILES
CC1CC(OC1C)C(=O)N[C@H]2[C@@H]3N(C2=O)[C@H](C(S3)(C)C)C(=O)O
InChI
InChI=1S/C15H22N2O5S/c1-6-5-8(22-7(6)2)11(18)16-9-12(19)17-10(14(20)21)15(3,4)23-13(9)17/h6-10,13H,5H2,1-4H3,(H,16,18)(H,20,21)/t6?,7?,8?,9-,10+,13-/m1/s1
InChIKey
PNYKDVLHLDNKIH-QPGMHPPYSA-N
Compound name
(2S,5R,6R)-6-[(4,5-dimethyloxolane-2-carbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.12494 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.13222 183.0
[M+Na]+ 365.11416 183.3
[M+NH4]+ 360.15876 185.0
[M+K]+ 381.08810 183.4
[M-H]- 341.11766 180.3
[M+Na-2H]- 363.09961 178.7
[M]+ 342.12439 181.0
[M]- 342.12549 181.0
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.