CID 15954649

5-cyclopropyl-3-[2,6-dimethyl-4-[3-(6-propylpyridazin-3-yl)propoxy]phenyl]-1,2,4-oxadiazole

Structural Information

Molecular Formula
C23H28N4O2
SMILES
CCCC1=NN=C(C=C1)CCCOC2=CC(=C(C(=C2)C)C3=NOC(=N3)C4CC4)C
InChI
InChI=1S/C23H28N4O2/c1-4-6-18-10-11-19(26-25-18)7-5-12-28-20-13-15(2)21(16(3)14-20)22-24-23(29-27-22)17-8-9-17/h10-11,13-14,17H,4-9,12H2,1-3H3
InChIKey
HNDIDGXMIXTCFP-UHFFFAOYSA-N
Compound name
5-cyclopropyl-3-[2,6-dimethyl-4-[3-(6-propylpyridazin-3-yl)propoxy]phenyl]-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.22122 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.22850 205.8
[M+Na]+ 415.21044 215.8
[M-H]- 391.21394 214.2
[M+NH4]+ 410.25504 207.9
[M+K]+ 431.18438 209.0
[M+H-H2O]+ 375.21848 193.8
[M+HCOO]- 437.21942 223.6
[M+CH3COO]- 451.23507 214.1
[M+Na-2H]- 413.19589 204.4
[M]+ 392.22067 213.5
[M]- 392.22177 213.5
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

No patent data available for this compound.