CID 3062355

3h-imidazo(2,1-b)(1,3)benzodiazepin-3-one, 1,2,5,6-tetrahydro-8-methoxy-, monohydrochloride

Structural Information

Molecular Formula

C₁₂H₁₃N₃O₂

SMILES

COC1=CC2=C(C=C1)NC3=NCC(=O)N3CC2

InChI

InChI=1S/C12H13N3O2/c1-17-9-2-3-10-8(6-9)4-5-15-11(16)7-13-12(15)14-10/h2-3,6H,4-5,7H2,1H3,(H,13,14)

InChIKey

MUYSDCJMBFJVEB-UHFFFAOYSA-N

Compound name

8-methoxy-2,5,6,11-tetrahydroimidazo[2,1-b][1,3]benzodiazepin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 231.10077 Da
Monoisotopic Mass: 0.8
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]+	232.108046	149.7
[M+Na]+	254.089988	158.1
[M-H]-	230.093494	151.6
[M+NH4]+	249.134593	166.1
[M+K]+	270.063928	157.2
[M+H-H2O]+	214.098030	141.7
[M+HCOO]-	276.098971	165.7
[M+CH3COO]-	290.114621	160.9
[M+Na-2H]-	252.075436	154.7
[M]+	231.10022142	146.3
[M]-	231.10131858	146.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.