CID 21930924

Flubromazolam

Structural Information

Molecular Formula
C17H12BrFN4
SMILES
CC1=NN=C2N1C3=C(C=C(C=C3)Br)C(=NC2)C4=CC=CC=C4F
InChI
InChI=1S/C17H12BrFN4/c1-10-21-22-16-9-20-17(12-4-2-3-5-14(12)19)13-8-11(18)6-7-15(13)23(10)16/h2-8H,9H2,1H3
InChIKey
VXGSZBZQCBNUIP-UHFFFAOYSA-N
Compound name
8-bromo-6-(2-fluorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

15
References

213
Patents

370.02295 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.03023 177.2
[M+Na]+ 393.01217 182.3
[M+NH4]+ 388.05677 180.8
[M+K]+ 408.98611 182.4
[M-H]- 369.01567 177.8
[M+Na-2H]- 390.99762 180.6
[M]+ 370.02240 177.2
[M]- 370.02350 177.2
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