CID 75054

11h-dibenzo(b,e)(1,4)diazepin-11-one, 5,10-dihydro-5-(2-(diethylamino)ethyl)-, n-oxide

Structural Information

Molecular Formula

C₁₉H₂₃N₃O₂

SMILES

CCN(CC)CCN1C2=CC=CC=C2C(=O)N(C3=CC=CC=C31)O

InChI

InChI=1S/C19H23N3O2/c1-3-20(4-2)13-14-21-16-10-6-5-9-15(16)19(23)22(24)18-12-8-7-11-17(18)21/h5-12,24H,3-4,13-14H2,1-2H3

InChIKey

PUADUYHPJCGDTM-UHFFFAOYSA-N

Compound name

11-[2-(diethylamino)ethyl]-5-hydroxybenzo[b][1,4]benzodiazepin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 325.17902 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]+	326.186296	177.0
[M+Na]+	348.168238	183.6
[M-H]-	324.171744	181.0
[M+NH4]+	343.212843	189.9
[M+K]+	364.142178	183.7
[M+H-H2O]+	308.176280	168.6
[M+HCOO]-	370.177221	194.0
[M+CH3COO]-	384.192871	215.6
[M+Na-2H]-	346.153686	181.5
[M]+	325.17847142	176.9
[M]-	325.17956858	176.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.