CID 212653

24638-06-0

Structural Information

Molecular Formula
C13H14N2O3
SMILES
C1CCN2C(C1)C(=O)N(C2=O)C3=CC=CC=C3O
InChI
InChI=1S/C13H14N2O3/c16-11-7-2-1-5-9(11)15-12(17)10-6-3-4-8-14(10)13(15)18/h1-2,5,7,10,16H,3-4,6,8H2
InChIKey
DUKZXRWWISTVBF-UHFFFAOYSA-N
Compound name
2-(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

246.10045 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.107726 154.6
[M+Na]+ 269.089668 162.5
[M-H]- 245.093174 158.2
[M+NH4]+ 264.134273 171.3
[M+K]+ 285.063608 158.3
[M+H-H2O]+ 229.097710 146.9
[M+HCOO]- 291.098651 170.9
[M+CH3COO]- 305.114301 165.9
[M+Na-2H]- 267.075116 156.3
[M]+ 246.09990142 150.8
[M]- 246.10099858 150.8
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.