CID 3393

Flurazepam

Structural Information

Molecular Formula

C₂₁H₂₃ClFN₃O

SMILES

CCN(CC)CCN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3F

InChI

InChI=1S/C21H23ClFN3O/c1-3-25(4-2)11-12-26-19-10-9-15(22)13-17(19)21(24-14-20(26)27)16-7-5-6-8-18(16)23/h5-10,13H,3-4,11-12,14H2,1-2H3

InChIKey

SAADBVWGJQAEFS-UHFFFAOYSA-N

Compound name

7-chloro-1-[2-(diethylamino)ethyl]-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 926
References: 25133
Patents: 387.15137 Da
Monoisotopic Mass: 3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	388.158646	189.6
[M+Na]+	410.140588	198.2
[M-H]-	386.144094	195.3
[M+NH4]+	405.185193	200.8
[M+K]+	426.114528	196.5
[M+H-H2O]+	370.148630	178.9
[M+HCOO]-	432.149571	203.5
[M+CH3COO]-	446.165221	226.6
[M+Na-2H]-	408.126036	191.2
[M]+	387.15082142	190.7
[M]-	387.15191858	190.7

Literature stripe

literature stripe

Patent stripe

patents stripe