CID 3373

Flumazenil

Structural Information

Molecular Formula
C15H14FN3O3
SMILES
CCOC(=O)C1=C2CN(C(=O)C3=C(N2C=N1)C=CC(=C3)F)C
InChI
InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3
InChIKey
OFBIFZUFASYYRE-UHFFFAOYSA-N
Compound name
ethyl 8-fluoro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

4119
References

10165
Patents

303.10193 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.10921 164.4
[M+Na]+ 326.09115 174.6
[M-H]- 302.09465 167.2
[M+NH4]+ 321.13575 179.2
[M+K]+ 342.06509 174.2
[M+H-H2O]+ 286.09919 155.6
[M+HCOO]- 348.10013 180.6
[M+CH3COO]- 362.11578 206.5
[M+Na-2H]- 324.07660 166.6
[M]+ 303.10138 164.9
[M]- 303.10248 164.9
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

patents stripe