CID 166581

Nortetrazepam

Structural Information

Molecular Formula

C₁₅H₁₅ClN₂O

SMILES

C1CCC(=CC1)C2=NCC(=O)NC3=C2C=C(C=C3)Cl

InChI

InChI=1S/C15H15ClN2O/c16-11-6-7-13-12(8-11)15(17-9-14(19)18-13)10-4-2-1-3-5-10/h4,6-8H,1-3,5,9H2,(H,18,19)

InChIKey

FDRMSENAXZDFTN-UHFFFAOYSA-N

Compound name

7-chloro-5-(cyclohexen-1-yl)-1,3-dihydro-1,4-benzodiazepin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 88
Patents: 274.08728 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]+	275.09456	160.4
[M+Na]+	297.07650	167.9
[M-H]-	273.08000	164.3
[M+NH4]+	292.12110	174.3
[M+K]+	313.05044	165.5
[M+H-H2O]+	257.08454	152.0
[M+HCOO]-	319.08548	171.6
[M+CH3COO]-	333.10113	170.4
[M+Na-2H]-	295.06195	164.6
[M]+	274.08673	154.6
[M]-	274.08783	154.6

Literature stripe

literature stripe

Patent stripe

patents stripe