CID 15954650

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

Structural Information

Molecular Formula
C22H26N4O2
SMILES
CCCC1=NN=C(C=C1)CCCOC2=CC(=C(C=C2)C3=NOC(=N3)C4CC4)C
InChI
InChI=1S/C22H26N4O2/c1-3-5-17-9-10-18(25-24-17)6-4-13-27-19-11-12-20(15(2)14-19)21-23-22(28-26-21)16-7-8-16/h9-12,14,16H,3-8,13H2,1-2H3
InChIKey
MNEYHQIWGSHKAS-UHFFFAOYSA-N
Compound name
5-cyclopropyl-3-[2-methyl-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

378.20557 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.21285 200.9
[M+Na]+ 401.19479 210.5
[M-H]- 377.19829 209.0
[M+NH4]+ 396.23939 203.2
[M+K]+ 417.16873 204.0
[M+H-H2O]+ 361.20283 188.9
[M+HCOO]- 423.20377 219.1
[M+CH3COO]- 437.21942 209.4
[M+Na-2H]- 399.18024 200.8
[M]+ 378.20502 207.8
[M]- 378.20612 207.8
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.