CID 10737466

78756-37-3

Structural Information

Molecular Formula
C15H14BrN3O3
SMILES
CCOC(=O)C1=C2CN(C(=O)C3=C(N2C=N1)C=CC(=C3)Br)C
InChI
InChI=1S/C15H14BrN3O3/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
NFMFVESVKLVYJR-UHFFFAOYSA-N
Compound name
ethyl 8-bromo-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

32
Patents

363.02185 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.02913 171.6
[M+Na]+ 386.01107 173.6
[M+NH4]+ 381.05567 174.0
[M+K]+ 401.98501 176.3
[M-H]- 362.01457 170.0
[M+Na-2H]- 383.99652 171.3
[M]+ 363.02130 170.2
[M]- 363.02240 170.2
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