CID 3046346

61984-02-9

Structural Information

Molecular Formula

C₁₇H₁₄Cl₂N₂O₂

SMILES

C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)OCCCl

InChI

InChI=1S/C17H14Cl2N2O2/c18-8-9-23-17-16(22)20-14-7-6-12(19)10-13(14)15(21-17)11-4-2-1-3-5-11/h1-7,10,17H,8-9H2,(H,20,22)

InChIKey

CAEFVIAJODGZGC-UHFFFAOYSA-N

Compound name

7-chloro-3-(2-chloroethoxy)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 348.04324 Da
Monoisotopic Mass: 3.5
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]+	349.050516	174.3
[M+Na]+	371.032458	184.7
[M-H]-	347.035964	178.1
[M+NH4]+	366.077063	186.4
[M+K]+	387.006398	181.8
[M+H-H2O]+	331.040500	165.6
[M+HCOO]-	393.041441	183.1
[M+CH3COO]-	407.057091	184.2
[M+Na-2H]-	369.017906	178.3
[M]+	348.04269142	174.8
[M]-	348.04378858	174.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.