CID 31157

Triflubazam

Structural Information

Molecular Formula
C17H13F3N2O2
SMILES
CN1C(=O)CC(=O)N(C2=C1C=CC(=C2)C(F)(F)F)C3=CC=CC=C3
InChI
InChI=1S/C17H13F3N2O2/c1-21-13-8-7-11(17(18,19)20)9-14(13)22(16(24)10-15(21)23)12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChIKey
DMNPCIKBNDKNTO-UHFFFAOYSA-N
Compound name
1-methyl-5-phenyl-7-(trifluoromethyl)-1,5-benzodiazepine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

278
Patents

334.09293 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.10021 172.6
[M+Na]+ 357.08215 181.9
[M+NH4]+ 352.12675 176.6
[M+K]+ 373.05609 177.5
[M-H]- 333.08565 170.8
[M+Na-2H]- 355.06760 176.7
[M]+ 334.09238 173.2
[M]- 334.09348 173.2
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