CID 44153340

94030-96-3

Structural Information

Molecular Formula

C₂₅H₂₀FN₃O₂

SMILES

CN1C(CN=C(C2=CC=CC=C21)C3=CC=CC=C3F)CN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C25H20FN3O2/c1-28-16(15-29-24(30)17-8-2-3-9-18(17)25(29)31)14-27-23(19-10-4-6-12-21(19)26)20-11-5-7-13-22(20)28/h2-13,16H,14-15H2,1H3

InChIKey

GJJJVONLYFECJX-UHFFFAOYSA-N

Compound name

2-[[5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1,4-benzodiazepin-2-yl]methyl]isoindole-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 413.15396 Da
Monoisotopic Mass: 4.0
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]+	414.161236	203.7
[M+Na]+	436.143178	213.4
[M-H]-	412.146684	211.9
[M+NH4]+	431.187783	213.4
[M+K]+	452.117118	208.8
[M+H-H2O]+	396.151220	192.1
[M+HCOO]-	458.152161	218.1
[M+CH3COO]-	472.167811	212.2
[M+Na-2H]-	434.128626	202.6
[M]+	413.15341142	200.9
[M]-	413.15450858	200.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.