CID 92294

7-aminoflunitrazepam

Structural Information

Molecular Formula

C₁₆H₁₄FN₃O

SMILES

CN1C(=O)CN=C(C2=C1C=CC(=C2)N)C3=CC=CC=C3F

InChI

InChI=1S/C16H14FN3O/c1-20-14-7-6-10(18)8-12(14)16(19-9-15(20)21)11-4-2-3-5-13(11)17/h2-8H,9,18H2,1H3

InChIKey

LTCDLGUFORGHGY-UHFFFAOYSA-N

Compound name

7-amino-5-(2-fluorophenyl)-1-methyl-3H-1,4-benzodiazepin-2-one

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 43
References: 88
Patents: 283.1121 Da
Monoisotopic Mass: 1.3
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]+	284.119376	163.7
[M+Na]+	306.101318	172.8
[M-H]-	282.104824	169.0
[M+NH4]+	301.145923	177.1
[M+K]+	322.075258	172.0
[M+H-H2O]+	266.109360	154.4
[M+HCOO]-	328.110301	182.4
[M+CH3COO]-	342.125951	174.7
[M+Na-2H]-	304.086766	167.8
[M]+	283.11155142	159.1
[M]-	283.11264858	159.1

Literature stripe

literature stripe

Patent stripe

patents stripe