CID 15954693

3-[4-[5-(3-methylisoxazol-5-yl)pentoxy]phenyl]-1,2,4-oxadiazole

Structural Information

Molecular Formula
C17H19N3O3
SMILES
CC1=NOC(=C1)CCCCCOC2=CC=C(C=C2)C3=NOC=N3
InChI
InChI=1S/C17H19N3O3/c1-13-11-16(23-19-13)5-3-2-4-10-21-15-8-6-14(7-9-15)17-18-12-22-20-17/h6-9,11-12H,2-5,10H2,1H3
InChIKey
ODYVKPGABXUXEZ-UHFFFAOYSA-N
Compound name
3-[4-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]phenyl]-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.14264 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.14992 170.5
[M+Na]+ 336.13186 179.7
[M-H]- 312.13536 178.3
[M+NH4]+ 331.17646 181.7
[M+K]+ 352.10580 178.0
[M+H-H2O]+ 296.13990 161.0
[M+HCOO]- 358.14084 192.8
[M+CH3COO]- 372.15649 182.6
[M+Na-2H]- 334.11731 174.0
[M]+ 313.14209 178.6
[M]- 313.14319 178.6
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.