CID 5271692

Chembl141169

Structural Information

Molecular Formula
C20H26N2O5
SMILES
CC1=NOC(=C1)CCCCCOC2=C(C=C(C=C2OC)C3=NCCO3)OC
InChI
InChI=1S/C20H26N2O5/c1-14-11-16(27-22-14)7-5-4-6-9-25-19-17(23-2)12-15(13-18(19)24-3)20-21-8-10-26-20/h11-13H,4-10H2,1-3H3
InChIKey
YBFNUIRAXLTBNZ-UHFFFAOYSA-N
Compound name
5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2,6-dimethoxyphenoxy]pentyl]-3-methyl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

374.18417 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.19145 188.2
[M+Na]+ 397.17339 195.3
[M-H]- 373.17689 196.9
[M+NH4]+ 392.21799 198.5
[M+K]+ 413.14733 194.8
[M+H-H2O]+ 357.18143 179.4
[M+HCOO]- 419.18237 208.4
[M+CH3COO]- 433.19802 216.4
[M+Na-2H]- 395.15884 187.5
[M]+ 374.18362 197.7
[M]- 374.18472 197.7
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