CID 719562

57998-25-1

Structural Information

Molecular Formula
C17H15NO5
SMILES
C1[C@@H]2C=C[C@H]1[C@H]3[C@@H]2C(=O)N(C3=O)OC(=O)OCC4=CC=CC=C4
InChI
InChI=1S/C17H15NO5/c19-15-13-11-6-7-12(8-11)14(13)16(20)18(15)23-17(21)22-9-10-4-2-1-3-5-10/h1-7,11-14H,8-9H2/t11-,12+,13+,14-
InChIKey
SSVLHTOYYHGIND-LVEBTZEWSA-N
Compound name
benzyl [(1R,2R,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl] carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.09503 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.10231 170.7
[M+Na]+ 336.08425 179.5
[M+NH4]+ 331.12885 177.7
[M+K]+ 352.05819 180.1
[M-H]- 312.08775 170.9
[M+Na-2H]- 334.06970 170.9
[M]+ 313.09448 171.5
[M]- 313.09558 171.5
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.