CID 515433

Chembl143634

Structural Information

Molecular Formula
C20H20Cl2N2O2
SMILES
CC1=NOC(=C1)CCCCCOC2=C(C=C(C=C2Cl)C3=CN=CC=C3)Cl
InChI
InChI=1S/C20H20Cl2N2O2/c1-14-10-17(26-24-14)7-3-2-4-9-25-20-18(21)11-16(12-19(20)22)15-6-5-8-23-13-15/h5-6,8,10-13H,2-4,7,9H2,1H3
InChIKey
KQIXITZSQIALGD-UHFFFAOYSA-N
Compound name
5-[5-(2,6-dichloro-4-pyridin-3-ylphenoxy)pentyl]-3-methyl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

390.09018 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.09746 192.3
[M+Na]+ 413.07940 202.0
[M-H]- 389.08290 199.1
[M+NH4]+ 408.12400 202.9
[M+K]+ 429.05334 195.3
[M+H-H2O]+ 373.08744 182.3
[M+HCOO]- 435.08838 203.3
[M+CH3COO]- 449.10403 202.2
[M+Na-2H]- 411.06485 192.6
[M]+ 390.08963 200.5
[M]- 390.09073 200.5
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

No patent data available for this compound.