CID 5273100

Chembl25697

Structural Information

Molecular Formula
C19H24N2O3
SMILES
CCC1=NOC(=C1)CCCCCOC2=CC=C(C=C2)C3=NCCO3
InChI
InChI=1S/C19H24N2O3/c1-2-16-14-18(24-21-16)6-4-3-5-12-22-17-9-7-15(8-10-17)19-20-11-13-23-19/h7-10,14H,2-6,11-13H2,1H3
InChIKey
OSDQSHRFDQDFCJ-UHFFFAOYSA-N
Compound name
5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl]-3-ethyl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

328.17868 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.18596 178.0
[M+Na]+ 351.16790 184.2
[M-H]- 327.17140 185.9
[M+NH4]+ 346.21250 189.7
[M+K]+ 367.14184 182.6
[M+H-H2O]+ 311.17594 169.0
[M+HCOO]- 373.17688 198.2
[M+CH3COO]- 387.19253 206.9
[M+Na-2H]- 349.15335 178.8
[M]+ 328.17813 183.5
[M]- 328.17923 183.5
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

No patent data available for this compound.