CID 34445

Meseclazone

Structural Information

Molecular Formula

C₁₁H₁₀ClNO₃

SMILES

CC1CC2N(O1)C(=O)C3=C(O2)C=CC(=C3)Cl

InChI

InChI=1S/C11H10ClNO3/c1-6-4-10-13(16-6)11(14)8-5-7(12)2-3-9(8)15-10/h2-3,5-6,10H,4H2,1H3

InChIKey

OJGJQQNLRVNIKE-UHFFFAOYSA-N

Compound name

7-chloro-2-methyl-3,3a-dihydro-2H-[1,2]oxazolo[3,2-b][1,3]benzoxazin-9-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 5
References: 3954
Patents: 239.03493 Da
Monoisotopic Mass: 2.5
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]+	240.042206	148.8
[M+Na]+	262.024148	159.8
[M-H]-	238.027654	154.3
[M+NH4]+	257.068753	167.7
[M+K]+	277.998088	157.6
[M+H-H2O]+	222.032190	143.6
[M+HCOO]-	284.033131	161.6
[M+CH3COO]-	298.048781	162.2
[M+Na-2H]-	260.009596	154.3
[M]+	239.03438142	152.2
[M]-	239.03547858	152.2

Literature stripe

literature stripe

Patent stripe

patents stripe