CID 5273053

Chembl79005

Structural Information

Molecular Formula
C19H23N3O4
SMILES
CC1=CC(=CC(=C1OCCCC2=CC(=NO2)CCO)C)C3=NOC(=N3)C
InChI
InChI=1S/C19H23N3O4/c1-12-9-15(19-20-14(3)25-22-19)10-13(2)18(12)24-8-4-5-17-11-16(6-7-23)21-26-17/h9-11,23H,4-8H2,1-3H3
InChIKey
QFQMWPKKAPBYPA-UHFFFAOYSA-N
Compound name
2-[5-[3-[2,6-dimethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]-1,2-oxazol-3-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

357.16885 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.17613 184.5
[M+Na]+ 380.15807 194.7
[M-H]- 356.16157 191.9
[M+NH4]+ 375.20267 194.0
[M+K]+ 396.13201 192.2
[M+H-H2O]+ 340.16611 175.6
[M+HCOO]- 402.16705 204.8
[M+CH3COO]- 416.18270 212.5
[M+Na-2H]- 378.14352 184.4
[M]+ 357.16830 194.1
[M]- 357.16940 194.1
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.