CID 51358502

2-phenyl-4h,5h,6h,7h-[1,3]oxazolo[5,4-c]pyridine

Structural Information

Molecular Formula
C12H12N2O
SMILES
C1CNCC2=C1N=C(O2)C3=CC=CC=C3
InChI
InChI=1S/C12H12N2O/c1-2-4-9(5-3-1)12-14-10-6-7-13-8-11(10)15-12/h1-5,13H,6-8H2
InChIKey
ABVUBXVONZYCFA-UHFFFAOYSA-N
Compound name
2-phenyl-4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

200.09496 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.102236 141.8
[M+Na]+ 223.084178 149.3
[M-H]- 199.087684 145.7
[M+NH4]+ 218.128783 158.8
[M+K]+ 239.058118 146.0
[M+H-H2O]+ 183.092220 133.8
[M+HCOO]- 245.093161 159.8
[M+CH3COO]- 259.108811 154.0
[M+Na-2H]- 221.069626 148.6
[M]+ 200.09441142 138.5
[M]- 200.09550858 138.5
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

patents stripe