CID 3045400

Lufuradom

Structural Information

Molecular Formula

C₂₂H₂₀FN₃O₂

SMILES

CN1C(CN=C(C2=C1C=C(C=C2)F)C3=CC=CC=C3)CNC(=O)C4=COC=C4

InChI

InChI=1S/C22H20FN3O2/c1-26-18(13-25-22(27)16-9-10-28-14-16)12-24-21(15-5-3-2-4-6-15)19-8-7-17(23)11-20(19)26/h2-11,14,18H,12-13H2,1H3,(H,25,27)

InChIKey

QJSCDZOUCFWCKD-UHFFFAOYSA-N

Compound name

N-[(8-fluoro-1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)methyl]furan-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 68
Patents: 377.15396 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]+	378.161236	190.1
[M+Na]+	400.143178	196.9
[M-H]-	376.146684	198.9
[M+NH4]+	395.187783	199.8
[M+K]+	416.117118	196.0
[M+H-H2O]+	360.151220	179.6
[M+HCOO]-	422.152161	207.7
[M+CH3COO]-	436.167811	199.3
[M+Na-2H]-	398.128626	191.5
[M]+	377.15341142	187.5
[M]-	377.15450858	187.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe