CID 3062493

9,10-dihydro-7,8-dimethoxy-5h-imidazo(2,1-c)(1,4)benzodiazepine

Structural Information

Molecular Formula

C₁₃H₁₇N₃O₂

SMILES

COC1CC2=C(CN3CC=NC3=CN2)C=C1OC

InChI

InChI=1S/C13H17N3O2/c1-17-11-5-9-8-16-4-3-14-13(16)7-15-10(9)6-12(11)18-2/h3,5,7,12,15H,4,6,8H2,1-2H3

InChIKey

CKODWMIOLRHIRI-UHFFFAOYSA-N

Compound name

7,8-dimethoxy-5,6,7,10-tetrahydro-1H-imidazo[2,1-c][1,4]benzodiazepine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 247.13208 Da
Monoisotopic Mass: -0.2
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]+	248.139356	154.7
[M+Na]+	270.121298	162.4
[M-H]-	246.124804	156.4
[M+NH4]+	265.165903	170.6
[M+K]+	286.095238	161.8
[M+H-H2O]+	230.129340	146.4
[M+HCOO]-	292.130281	170.2
[M+CH3COO]-	306.145931	165.4
[M+Na-2H]-	268.106746	159.2
[M]+	247.13153142	152.2
[M]-	247.13262858	152.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.