CID 73640

92358-02-6

Structural Information

Molecular Formula
C17H14FN3O3
SMILES
CC1CCC2=C3N1C=C(C(=O)C3=CC(=C2N4C=CN=C4)F)C(=O)O
InChI
InChI=1S/C17H14FN3O3/c1-9-2-3-10-14-11(16(22)12(17(23)24)7-21(9)14)6-13(18)15(10)20-5-4-19-8-20/h4-9H,2-3H2,1H3,(H,23,24)
InChIKey
NWGIBDONRWWYPV-UHFFFAOYSA-N
Compound name
7-fluoro-8-imidazol-1-yl-12-methyl-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

4
Patents

327.10193 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.10921 174.7
[M+Na]+ 350.09115 186.2
[M-H]- 326.09465 177.3
[M+NH4]+ 345.13575 188.4
[M+K]+ 366.06509 180.0
[M+H-H2O]+ 310.09919 164.8
[M+HCOO]- 372.10013 190.0
[M+CH3COO]- 386.11578 185.3
[M+Na-2H]- 348.07660 177.0
[M]+ 327.10138 176.8
[M]- 327.10248 176.8
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.