CID 44144483

Ohbpso

Structural Information

Molecular Formula
C15H17NO6S
SMILES
CC1([C@@H](N2[C@H](S1(=O)=O)C(C2=O)C(C3=CC=CC=C3)O)C(=O)O)C
InChI
InChI=1S/C15H17NO6S/c1-15(2)11(14(19)20)16-12(18)9(13(16)23(15,21)22)10(17)8-6-4-3-5-7-8/h3-7,9-11,13,17H,1-2H3,(H,19,20)/t9?,10?,11-,13+/m0/s1
InChIKey
YJZNAALQLKUXNT-TWHWIZHFSA-N
Compound name
(2S,5R)-6-[hydroxy(phenyl)methyl]-3,3-dimethyl-4,4,7-trioxo-4lambda6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

339.07767 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.08495 175.1
[M+Na]+ 362.06689 178.8
[M+NH4]+ 357.11149 178.5
[M+K]+ 378.04083 174.6
[M-H]- 338.07039 171.0
[M+Na-2H]- 360.05234 175.9
[M]+ 339.07712 173.6
[M]- 339.07822 173.6
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

No patent data available for this compound.