CID 515432

Chembl344601

Structural Information

Molecular Formula
C20H20Cl2N2O2
SMILES
CC1=NOC(=C1)CCCCCOC2=C(C=C(C=C2Cl)C3=CC=CC=N3)Cl
InChI
InChI=1S/C20H20Cl2N2O2/c1-14-11-16(26-24-14)7-3-2-6-10-25-20-17(21)12-15(13-18(20)22)19-8-4-5-9-23-19/h4-5,8-9,11-13H,2-3,6-7,10H2,1H3
InChIKey
XUAMGNGLPVFBMF-UHFFFAOYSA-N
Compound name
5-[5-(2,6-dichloro-4-pyridin-2-ylphenoxy)pentyl]-3-methyl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

390.09018 Da
Monoisotopic Mass

5.7
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

literature stripe

Patent stripe

patents stripe