CID 430267

7-chloro-2,4-dimethyl-3h-1,5-benzodiazepine

Structural Information

Molecular Formula

C₁₁H₁₁ClN₂

SMILES

CC1=NC2=C(C=C(C=C2)Cl)N=C(C1)C

InChI

InChI=1S/C11H11ClN2/c1-7-5-8(2)14-11-6-9(12)3-4-10(11)13-7/h3-4,6H,5H2,1-2H3

InChIKey

UFUVNNOKYSZHJR-UHFFFAOYSA-N

Compound name

7-chloro-2,4-dimethyl-3H-1,5-benzodiazepine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 206.06108 Da
Monoisotopic Mass: 2.0
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]+	207.06836	138.3
[M+Na]+	229.05030	149.3
[M-H]-	205.05380	141.8
[M+NH4]+	224.09490	156.4
[M+K]+	245.02424	148.7
[M+H-H2O]+	189.05834	131.6
[M+HCOO]-	251.05928	154.7
[M+CH3COO]-	265.07493	151.6
[M+Na-2H]-	227.03575	146.0
[M]+	206.06053	138.6
[M]-	206.06163	138.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.