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

literature stripe

Patent stripe

patents stripe