CID 23018

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

Structural Information

Molecular Formula

C₁₉H₁₉ClN₂O₂

SMILES

CCOCCN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C19H19ClN2O2/c1-2-24-11-10-22-17-9-8-15(20)12-16(17)19(21-13-18(22)23)14-6-4-3-5-7-14/h3-9,12H,2,10-11,13H2,1H3

InChIKey

LUVRMPZXOOFLSE-UHFFFAOYSA-N

Compound name

7-chloro-1-(2-ethoxyethyl)-5-phenyl-3H-1,4-benzodiazepin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 342.1135 Da
Monoisotopic Mass: 3.1
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]+	343.120776	178.4
[M+Na]+	365.102718	187.4
[M-H]-	341.106224	184.0
[M+NH4]+	360.147323	190.7
[M+K]+	381.076658	185.5
[M+H-H2O]+	325.110760	169.2
[M+HCOO]-	387.111701	192.5
[M+CH3COO]-	401.127351	188.6
[M+Na-2H]-	363.088166	182.2
[M]+	342.11295142	180.0
[M]-	342.11404858	180.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe