CID 15954698

Schembl9209434

Structural Information

Molecular Formula
C20H25N3O3
SMILES
CC1=CC(=CC(=C1OCCCCCC2=CC(=NO2)C)C)C3=NN=C(O3)C
InChI
InChI=1S/C20H25N3O3/c1-13-10-17(20-22-21-16(4)25-20)11-14(2)19(13)24-9-7-5-6-8-18-12-15(3)23-26-18/h10-12H,5-9H2,1-4H3
InChIKey
DPARMVDZYXMDLC-UHFFFAOYSA-N
Compound name
2-[3,5-dimethyl-4-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]phenyl]-5-methyl-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

355.1896 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.19688 186.2
[M+Na]+ 378.17882 196.7
[M-H]- 354.18232 194.7
[M+NH4]+ 373.22342 196.6
[M+K]+ 394.15276 194.1
[M+H-H2O]+ 338.18686 176.9
[M+HCOO]- 400.18780 207.4
[M+CH3COO]- 414.20345 215.6
[M+Na-2H]- 376.16427 185.8
[M]+ 355.18905 196.5
[M]- 355.19015 196.5
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

patents stripe