CID 2816

Cloxazolam

Structural Information

Molecular Formula

C₁₇H₁₄Cl₂N₂O₂

SMILES

C1COC2(N1CC(=O)NC3=C2C=C(C=C3)Cl)C4=CC=CC=C4Cl

InChI

InChI=1S/C17H14Cl2N2O2/c18-11-5-6-15-13(9-11)17(12-3-1-2-4-14(12)19)21(7-8-23-17)10-16(22)20-15/h1-6,9H,7-8,10H2,(H,20,22)

InChIKey

ZIXNZOBDFKSQTC-UHFFFAOYSA-N

Compound name

10-chloro-11b-(2-chlorophenyl)-2,3,5,7-tetrahydro-[1,3]oxazolo[3,2-d][1,4]benzodiazepin-6-one

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 32
References: 3772
Patents: 348.04324 Da
Monoisotopic Mass: 3.2
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]+	349.050516	176.8
[M+Na]+	371.032458	188.0
[M-H]-	347.035964	182.2
[M+NH4]+	366.077063	191.8
[M+K]+	387.006398	184.0
[M+H-H2O]+	331.040500	168.1
[M+HCOO]-	393.041441	182.5
[M+CH3COO]-	407.057091	186.7
[M+Na-2H]-	369.017906	179.8
[M]+	348.04269142	174.9
[M]-	348.04378858	174.9

Literature stripe

literature stripe

Patent stripe

patents stripe