CID 3059900

Brn 5956374

Structural Information

Molecular Formula

C₁₄H₁₈N₂O₂

SMILES

CCC12CC(OC1NC3=CC=CC=C3NC2=O)C

InChI

InChI=1S/C14H18N2O2/c1-3-14-8-9(2)18-13(14)16-11-7-5-4-6-10(11)15-12(14)17/h4-7,9,13,16H,3,8H2,1-2H3,(H,15,17)

InChIKey

RHARBRDZQQOHTC-UHFFFAOYSA-N

Compound name

3a-ethyl-2-methyl-3,5,10,10a-tetrahydro-2H-furo[2,3-b][1,5]benzodiazepin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 246.13683 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]+	247.144106	155.5
[M+Na]+	269.126048	162.7
[M-H]-	245.129554	157.5
[M+NH4]+	264.170653	172.5
[M+K]+	285.099988	161.1
[M+H-H2O]+	229.134090	148.8
[M+HCOO]-	291.135031	168.3
[M+CH3COO]-	305.150681	165.8
[M+Na-2H]-	267.111496	159.7
[M]+	246.13628142	149.9
[M]-	246.13737858	149.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.