CID 119194

Imidazenil

Structural Information

Molecular Formula
C18H12BrFN4O
SMILES
C1C2=C(N=CN2C3=C(C=C(C=C3)F)C(=N1)C4=CC=CC=C4Br)C(=O)N
InChI
InChI=1S/C18H12BrFN4O/c19-13-4-2-1-3-11(13)16-12-7-10(20)5-6-14(12)24-9-23-17(18(21)25)15(24)8-22-16/h1-7,9H,8H2,(H2,21,25)
InChIKey
OCJHYHKWUWSHEN-UHFFFAOYSA-N
Compound name
6-(2-bromophenyl)-8-fluoro-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

50
References

565
Patents

398.01785 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.02513 183.5
[M+Na]+ 421.00707 196.0
[M-H]- 397.01057 191.4
[M+NH4]+ 416.05167 197.5
[M+K]+ 436.98101 186.8
[M+H-H2O]+ 381.01511 180.1
[M+HCOO]- 443.01605 199.3
[M+CH3COO]- 457.03170 195.1
[M+Na-2H]- 418.99252 187.3
[M]+ 398.01730 198.2
[M]- 398.01840 198.2
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