CID 10251042

Iomazenil

Structural Information

Molecular Formula
C15H14IN3O3
SMILES
CCOC(=O)C1=C2CN(C(=O)C3=C(N2C=N1)C=CC=C3I)C
InChI
InChI=1S/C15H14IN3O3/c1-3-22-15(21)13-11-7-18(2)14(20)12-9(16)5-4-6-10(12)19(11)8-17-13/h4-6,8H,3,7H2,1-2H3
InChIKey
FRIZVHMAECRUBR-UHFFFAOYSA-N
Compound name
ethyl 7-iodo-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

253
References

220
Patents

411.008 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.01528 165.2
[M+Na]+ 433.99722 168.4
[M-H]- 410.00072 162.5
[M+NH4]+ 429.04182 175.6
[M+K]+ 449.97116 173.7
[M+H-H2O]+ 394.00526 154.1
[M+HCOO]- 456.00620 177.9
[M+CH3COO]- 470.02185 213.3
[M+Na-2H]- 431.98267 157.6
[M]+ 411.00745 164.3
[M]- 411.00855 164.3
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