CID 5273043

Chembl79194

Structural Information

Molecular Formula
C19H24N4O3
SMILES
CC1=CC(=CC(=C1OCCCC2=CC(=NO2)C)C)C3=NOC(=N3)N(C)C
InChI
InChI=1S/C19H24N4O3/c1-12-9-15(18-20-19(23(4)5)26-22-18)10-13(2)17(12)24-8-6-7-16-11-14(3)21-25-16/h9-11H,6-8H2,1-5H3
InChIKey
KMTRDKGXBZIXRW-UHFFFAOYSA-N
Compound name
3-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]-N,N-dimethyl-1,2,4-oxadiazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

356.18484 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.19212 186.5
[M+Na]+ 379.17406 196.7
[M-H]- 355.17756 196.8
[M+NH4]+ 374.21866 197.2
[M+K]+ 395.14800 195.6
[M+H-H2O]+ 339.18210 177.0
[M+HCOO]- 401.18304 209.6
[M+CH3COO]- 415.19869 221.0
[M+Na-2H]- 377.15951 186.7
[M]+ 356.18429 197.2
[M]- 356.18539 197.2
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.