CID 212654

Brn 0821533

Structural Information

Molecular Formula

C₁₃H₁₃ClN₂O₃

SMILES

C1CCN2C(C1)C(=O)N(C2=O)C3=C(C=CC(=C3)Cl)O

InChI

InChI=1S/C13H13ClN2O3/c14-8-4-5-11(17)10(7-8)16-12(18)9-3-1-2-6-15(9)13(16)19/h4-5,7,9,17H,1-3,6H2

InChIKey

VBEYNNRXWILBKB-UHFFFAOYSA-N

Compound name

2-(5-chloro-2-hydroxyphenyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 280.06146 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]+	281.068736	161.7
[M+Na]+	303.050678	171.2
[M-H]-	279.054184	165.4
[M+NH4]+	298.095283	178.2
[M+K]+	319.024618	165.5
[M+H-H2O]+	263.058720	154.7
[M+HCOO]-	325.059661	173.3
[M+CH3COO]-	339.075311	172.8
[M+Na-2H]-	301.036126	162.1
[M]+	280.06091142	160.3
[M]-	280.06200858	160.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.