CID 135848743

Antibiotic g 7063-2

Structural Information

Molecular Formula
C7H6N2O4
SMILES
[C@@H]12[C@@H](O1)C(=O)C(=N)C(=C2O)C(=O)N
InChI
InChI=1S/C7H6N2O4/c8-2-1(7(9)12)3(10)5-6(13-5)4(2)11/h5-6,8,10H,(H2,9,12)/t5-,6+/m1/s1
InChIKey
JWXWSBMLUQJPDL-RITPCOANSA-N
Compound name
(1S,6R)-2-hydroxy-4-imino-5-oxo-7-oxabicyclo[4.1.0]hept-2-ene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

182.03276 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.04004 133.2
[M+Na]+ 205.02198 144.4
[M-H]- 181.02548 138.5
[M+NH4]+ 200.06658 147.1
[M+K]+ 220.99592 141.3
[M+H-H2O]+ 165.03002 128.0
[M+HCOO]- 227.03096 154.3
[M+CH3COO]- 241.04661 188.0
[M+Na-2H]- 203.00743 138.8
[M]+ 182.03221 134.8
[M]- 182.03331 134.8
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

patents stripe