CID 10085812

Phop

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

117
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

literature stripe

Patent stripe

patents stripe