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 170.7
[M+Na]+ 324.09548 177.9
[M-H]- 300.09898 173.2
[M+NH4]+ 319.14008 189.7
[M+K]+ 340.06942 175.1
[M+H-H2O]+ 284.10352 165.9
[M+HCOO]- 346.10446 185.3
[M+CH3COO]- 360.12011 180.9
[M+Na-2H]- 322.08093 165.4
[M]+ 301.10571 170.9
[M]- 301.10681 170.9
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.