CID 2770226

474648-20-9

Structural Information

Molecular Formula
C15H15N3O4
SMILES
C1C2C=CC1C3C2C(=O)N(C3=O)C(CC4=CN=CN4)C(=O)O
InChI
InChI=1S/C15H15N3O4/c19-13-11-7-1-2-8(3-7)12(11)14(20)18(13)10(15(21)22)4-9-5-16-6-17-9/h1-2,5-8,10-12H,3-4H2,(H,16,17)(H,21,22)
InChIKey
MMZUYMRACDCOMP-UHFFFAOYSA-N
Compound name
2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-3-(1H-imidazol-5-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

301.10626 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.11354 168.3
[M+Na]+ 324.09548 174.2
[M+NH4]+ 319.14008 173.5
[M+K]+ 340.06942 179.3
[M-H]- 300.09898 165.7
[M+Na-2H]- 322.08093 165.9
[M]+ 301.10571 167.6
[M]- 301.10681 167.6
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.