CID 28647

Didesethylflurazepam

Structural Information

Molecular Formula
C17H15ClFN3O
SMILES
C1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3F)CCN
InChI
InChI=1S/C17H15ClFN3O/c18-11-5-6-15-13(9-11)17(12-3-1-2-4-14(12)19)21-10-16(23)22(15)8-7-20/h1-6,9H,7-8,10,20H2
InChIKey
MVAUDJDXZPBWOW-UHFFFAOYSA-N
Compound name
1-(2-aminoethyl)-7-chloro-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

21
References

90
Patents

331.08878 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.09606 173.7
[M+Na]+ 354.07800 183.9
[M-H]- 330.08150 178.3
[M+NH4]+ 349.12260 186.3
[M+K]+ 370.05194 181.5
[M+H-H2O]+ 314.08604 164.0
[M+HCOO]- 376.08698 187.9
[M+CH3COO]- 390.10263 184.0
[M+Na-2H]- 352.06345 177.0
[M]+ 331.08823 171.5
[M]- 331.08933 171.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.