CID 10085812

288862-83-9

Structural Information

Molecular Formula
C18H18N2O2
SMILES
C1=CC=C(C=C1)CCCCCC(=O)C2=NC3=C(O2)C=CC=N3
InChI
InChI=1S/C18H18N2O2/c21-15(18-20-17-16(22-18)12-7-13-19-17)11-6-2-5-10-14-8-3-1-4-9-14/h1,3-4,7-9,12-13H,2,5-6,10-11H2
InChIKey
VPZHQLPAKFVGKX-UHFFFAOYSA-N
Compound name
1-([1,3]oxazolo[4,5-b]pyridin-2-yl)-6-phenylhexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

514
Patents

294.13684 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.14412 169.0
[M+Na]+ 317.12606 177.1
[M-H]- 293.12956 174.4
[M+NH4]+ 312.17066 182.7
[M+K]+ 333.10000 173.1
[M+H-H2O]+ 277.13410 159.6
[M+HCOO]- 339.13504 190.0
[M+CH3COO]- 353.15069 180.5
[M+Na-2H]- 315.11151 174.7
[M]+ 294.13629 173.8
[M]- 294.13739 173.8
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.