CID 15648

1755-83-5

Structural Information

Molecular Formula

C₂₂H₂₄ClFN₄O

SMILES

CN1CCN(CC1)CCN2C(=O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4F

InChI

InChI=1S/C22H24ClFN4O/c1-26-8-10-27(11-9-26)12-13-28-20-7-6-16(23)14-18(20)22(25-15-21(28)29)17-4-2-3-5-19(17)24/h2-7,14H,8-13,15H2,1H3

InChIKey

FADQZASOAAEESG-UHFFFAOYSA-N

Compound name

7-chloro-5-(2-fluorophenyl)-1-[2-(4-methylpiperazin-1-yl)ethyl]-3H-1,4-benzodiazepin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 414.16226 Da
Monoisotopic Mass: 2.1
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]+	415.169536	200.6
[M+Na]+	437.151478	208.8
[M-H]-	413.154984	204.4
[M+NH4]+	432.196083	207.1
[M+K]+	453.125418	204.6
[M+H-H2O]+	397.159520	186.0
[M+HCOO]-	459.160461	206.9
[M+CH3COO]-	473.176111	207.3
[M+Na-2H]-	435.136926	199.9
[M]+	414.16171142	196.0
[M]-	414.16280858	196.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.