CID 15954697

Schembl9205839

Structural Information

Molecular Formula
C20H25N3O3
SMILES
CC1=NOC(=C1)CCCCCCCOC2=CC=C(C=C2)C3=NN=C(O3)C
InChI
InChI=1S/C20H25N3O3/c1-15-14-19(26-23-15)8-6-4-3-5-7-13-24-18-11-9-17(10-12-18)20-22-21-16(2)25-20/h9-12,14H,3-8,13H2,1-2H3
InChIKey
DGJYSZRONCJWDT-UHFFFAOYSA-N
Compound name
2-methyl-5-[4-[7-(3-methyl-1,2-oxazol-5-yl)heptoxy]phenyl]-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

355.1896 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.19688 185.0
[M+Na]+ 378.17882 193.6
[M-H]- 354.18232 192.6
[M+NH4]+ 373.22342 194.7
[M+K]+ 394.15276 191.2
[M+H-H2O]+ 338.18686 175.1
[M+HCOO]- 400.18780 206.2
[M+CH3COO]- 414.20345 213.1
[M+Na-2H]- 376.16427 186.0
[M]+ 355.18905 194.4
[M]- 355.19015 194.4
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

patents stripe