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

15
Patents

200.09496 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.10224 141.8
[M+Na]+ 223.08418 149.3
[M-H]- 199.08768 145.7
[M+NH4]+ 218.12878 158.8
[M+K]+ 239.05812 146.0
[M+H-H2O]+ 183.09222 133.8
[M+HCOO]- 245.09316 159.8
[M+CH3COO]- 259.10881 154.0
[M+Na-2H]- 221.06963 148.6
[M]+ 200.09441 138.5
[M]- 200.09551 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