CID 3047409

Blp 875

Structural Information

Molecular Formula
C13H13N3O4S2
SMILES
C=C1[C@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(C3=CSC=C3)N)C(=O)O
InChI
InChI=1S/C13H13N3O4S2/c1-5-9(13(19)20)16-11(18)8(12(16)22-5)15-10(17)7(14)6-2-3-21-4-6/h2-4,7-9,12H,1,14H2,(H,15,17)(H,19,20)/t7?,8-,9+,12-/m1/s1
InChIKey
TZAUXCYPIVIPFO-IRHHVTTKSA-N
Compound name
(2R,5R,6R)-6-[(2-amino-2-thiophen-3-ylacetyl)amino]-3-methylidene-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

339.03476 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.04204 176.6
[M+Na]+ 362.02398 175.8
[M+NH4]+ 357.06858 177.6
[M+K]+ 377.99792 175.9
[M-H]- 338.02748 173.4
[M+Na-2H]- 360.00943 172.8
[M]+ 339.03421 174.5
[M]- 339.03531 174.5
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.