CID 118522

5-(3-(diethylamino)propyl)-5,10-dihydro-11h-dibenzo(b,e)(1,4)diazepin-11-one n-oxide

Structural Information

Molecular Formula

C₂₀H₂₅N₃O₂

SMILES

CCN(CC)CCCN1C2=CC=CC=C2C(=O)N(C3=CC=CC=C31)O

InChI

InChI=1S/C20H25N3O2/c1-3-21(4-2)14-9-15-22-17-11-6-5-10-16(17)20(24)23(25)19-13-8-7-12-18(19)22/h5-8,10-13,25H,3-4,9,14-15H2,1-2H3

InChIKey

BIDVGQICULLMTO-UHFFFAOYSA-N

Compound name

11-[3-(diethylamino)propyl]-5-hydroxybenzo[b][1,4]benzodiazepin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 339.19467 Da
Monoisotopic Mass: 3.3
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]+	340.201946	181.4
[M+Na]+	362.183888	187.6
[M-H]-	338.187394	185.2
[M+NH4]+	357.228493	193.8
[M+K]+	378.157828	187.4
[M+H-H2O]+	322.191930	172.8
[M+HCOO]-	384.192871	198.1
[M+CH3COO]-	398.208521	218.3
[M+Na-2H]-	360.169336	185.4
[M]+	339.19412142	181.5
[M]-	339.19521858	181.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.