CID 209797

Brn 0749916

Structural Information

Molecular Formula

C₁₁H₁₁ClN₂O₂

SMILES

CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)OC

InChI

InChI=1S/C11H11ClN2O2/c1-14-9-4-3-7(12)5-8(9)11(16-2)13-6-10(14)15/h3-5H,6H2,1-2H3

InChIKey

TZPLDIZBSIRGMA-UHFFFAOYSA-N

Compound name

7-chloro-5-methoxy-1-methyl-3H-1,4-benzodiazepin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 238.0509 Da
Monoisotopic Mass: 1.6
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]+	239.05818	144.9
[M+Na]+	261.04012	155.8
[M-H]-	237.04362	148.5
[M+NH4]+	256.08472	161.8
[M+K]+	277.01406	156.3
[M+H-H2O]+	221.04816	138.0
[M+HCOO]-	283.04910	160.5
[M+CH3COO]-	297.06475	192.6
[M+Na-2H]-	259.02557	150.9
[M]+	238.05035	146.2
[M]-	238.05145	146.2

Literature stripe

literature stripe

Patent stripe

patents stripe