CID 10427006

Ol-135

Structural Information

Molecular Formula
C21H22N2O2
SMILES
C1=CC=C(C=C1)CCCCCCC(=O)C2=NC=C(O2)C3=CC=CC=N3
InChI
InChI=1S/C21H22N2O2/c24-19(14-7-2-1-4-10-17-11-5-3-6-12-17)21-23-16-20(25-21)18-13-8-9-15-22-18/h3,5-6,8-9,11-13,15-16H,1-2,4,7,10,14H2
InChIKey
ILOIOIGZFHGSMS-UHFFFAOYSA-N
Compound name
7-phenyl-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

40
References

128
Patents

334.16812 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.175396 181.5
[M+Na]+ 357.157338 187.1
[M-H]- 333.160844 188.4
[M+NH4]+ 352.201943 192.0
[M+K]+ 373.131278 182.7
[M+H-H2O]+ 317.165380 170.8
[M+HCOO]- 379.166321 201.6
[M+CH3COO]- 393.181971 209.2
[M+Na-2H]- 355.142786 184.0
[M]+ 334.16757142 184.4
[M]- 334.16866858 184.4
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