CID 15954652

5-(difluoromethyl)-3-[4-[3-(6-ethylpyridazin-3-yl)propoxy]phenyl]-1,2,4-oxadiazole

Structural Information

Molecular Formula
C18H18F2N4O2
SMILES
CCC1=NN=C(C=C1)CCCOC2=CC=C(C=C2)C3=NOC(=N3)C(F)F
InChI
InChI=1S/C18H18F2N4O2/c1-2-13-7-8-14(23-22-13)4-3-11-25-15-9-5-12(6-10-15)17-21-18(16(19)20)26-24-17/h5-10,16H,2-4,11H2,1H3
InChIKey
OEQZOSIURLJURY-UHFFFAOYSA-N
Compound name
5-(difluoromethyl)-3-[4-[3-(6-ethylpyridazin-3-yl)propoxy]phenyl]-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.13977 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.14705 183.3
[M+Na]+ 383.12899 191.8
[M-H]- 359.13249 185.9
[M+NH4]+ 378.17359 190.5
[M+K]+ 399.10293 187.0
[M+H-H2O]+ 343.13703 169.7
[M+HCOO]- 405.13797 199.2
[M+CH3COO]- 419.15362 192.4
[M+Na-2H]- 381.11444 184.5
[M]+ 360.13922 185.7
[M]- 360.14032 185.7
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.