CID 15954648

5-(difluoromethyl)-3-[2-methyl-4-[5-(6-methylpyridazin-3-yl)pentoxy]phenyl]-1,2,4-oxadiazole

Structural Information

Molecular Formula
C20H22F2N4O2
SMILES
CC1=NN=C(C=C1)CCCCCOC2=CC(=C(C=C2)C3=NOC(=N3)C(F)F)C
InChI
InChI=1S/C20H22F2N4O2/c1-13-12-16(9-10-17(13)19-23-20(18(21)22)28-26-19)27-11-5-3-4-6-15-8-7-14(2)24-25-15/h7-10,12,18H,3-6,11H2,1-2H3
InChIKey
DUHPWVSVCWXRPJ-UHFFFAOYSA-N
Compound name
5-(difluoromethyl)-3-[2-methyl-4-[5-(6-methylpyridazin-3-yl)pentoxy]phenyl]-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.17108 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.17836 193.1
[M+Na]+ 411.16030 201.7
[M-H]- 387.16380 195.8
[M+NH4]+ 406.20490 199.5
[M+K]+ 427.13424 196.4
[M+H-H2O]+ 371.16834 179.4
[M+HCOO]- 433.16928 208.3
[M+CH3COO]- 447.18493 221.1
[M+Na-2H]- 409.14575 192.5
[M]+ 388.17053 196.6
[M]- 388.17163 196.6
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.