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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.06874 161.7
[M+Na]+ 303.05068 171.2
[M-H]- 279.05418 165.4
[M+NH4]+ 298.09528 178.2
[M+K]+ 319.02462 165.5
[M+H-H2O]+ 263.05872 154.7
[M+HCOO]- 325.05966 173.3
[M+CH3COO]- 339.07531 172.8
[M+Na-2H]- 301.03613 162.1
[M]+ 280.06091 160.3
[M]- 280.06201 160.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.