CID 3059898

2,3,3a,5-tetrahydro-8-chloro-3a-ethyl-2-methyl-4h-furo(2,3-b)(1,5)benzodiazepin-4-one

Structural Information

Molecular Formula

C₁₄H₁₅ClN₂O₂

SMILES

CCC12CC(OC1=NC3=C(C=CC(=C3)Cl)NC2=O)C

InChI

InChI=1S/C14H15ClN2O2/c1-3-14-7-8(2)19-13(14)17-11-6-9(15)4-5-10(11)16-12(14)18/h4-6,8H,3,7H2,1-2H3,(H,16,18)

InChIKey

FVBVFFLQBWDTIQ-UHFFFAOYSA-N

Compound name

8-chloro-3a-ethyl-2-methyl-3,5-dihydro-2H-furo[3,2-c][1,5]benzodiazepin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 278.0822 Da
Monoisotopic Mass: 2.8
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]+	279.089476	159.6
[M+Na]+	301.071418	170.4
[M-H]-	277.074924	163.3
[M+NH4]+	296.116023	177.4
[M+K]+	317.045358	168.2
[M+H-H2O]+	261.079460	152.7
[M+HCOO]-	323.080401	170.9
[M+CH3COO]-	337.096051	171.1
[M+Na-2H]-	299.056866	164.1
[M]+	278.08165142	159.1
[M]-	278.08274858	159.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.