CID 206273

Brn 5391653

Structural Information

Molecular Formula
C14H20N2O5S
SMILES
CC1CCC(O1)C(=O)N[C@H]2[C@@H]3N(C2=O)[C@H](C(S3)(C)C)C(=O)O
InChI
InChI=1S/C14H20N2O5S/c1-6-4-5-7(21-6)10(17)15-8-11(18)16-9(13(19)20)14(2,3)22-12(8)16/h6-9,12H,4-5H2,1-3H3,(H,15,17)(H,19,20)/t6?,7?,8-,9+,12-/m1/s1
InChIKey
BDIYHJQDINQRFV-WYNVUNRPSA-N
Compound name
(2S,5R,6R)-3,3-dimethyl-6-[(5-methyloxolane-2-carbonyl)amino]-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

328.10928 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.11656 178.2
[M+Na]+ 351.09850 178.3
[M+NH4]+ 346.14310 180.4
[M+K]+ 367.07244 178.5
[M-H]- 327.10200 175.5
[M+Na-2H]- 349.08395 174.3
[M]+ 328.10873 176.2
[M]- 328.10983 176.2
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.