CID 475097

6-piperazin-1-yl-11h-benzo[b][1,4]benzodiazepin-2-ol

Structural Information

Molecular Formula

C₁₇H₁₈N₄O

SMILES

C1CN(CCN1)C2=NC3=C(C=C(C=C3)O)NC4=CC=CC=C42

InChI

InChI=1S/C17H18N4O/c22-12-5-6-15-16(11-12)19-14-4-2-1-3-13(14)17(20-15)21-9-7-18-8-10-21/h1-6,11,18-19,22H,7-10H2

InChIKey

FVBIIZHDPLBTHN-UHFFFAOYSA-N

Compound name

6-piperazin-1-yl-11H-benzo[b][1,4]benzodiazepin-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 294.14807 Da
Monoisotopic Mass: 1.6
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]+	295.155346	172.1
[M+Na]+	317.137288	178.4
[M-H]-	293.140794	172.3
[M+NH4]+	312.181893	181.2
[M+K]+	333.111228	174.4
[M+H-H2O]+	277.145330	161.5
[M+HCOO]-	339.146271	181.1
[M+CH3COO]-	353.161921	179.3
[M+Na-2H]-	315.122736	177.7
[M]+	294.14752142	162.2
[M]-	294.14861858	162.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.