CID 15954641

1-[6-[3-[2,6-dimethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]propyl]pyridazin-3-yl]ethanone

Structural Information

Molecular Formula
C20H19F3N4O3
SMILES
CC1=CC(=CC(=C1OCCCC2=NN=C(C=C2)C(=O)C)C)C3=NOC(=N3)C(F)(F)F
InChI
InChI=1S/C20H19F3N4O3/c1-11-9-14(18-24-19(30-27-18)20(21,22)23)10-12(2)17(11)29-8-4-5-15-6-7-16(13(3)28)26-25-15/h6-7,9-10H,4-5,8H2,1-3H3
InChIKey
LBONBEWRBITTEB-UHFFFAOYSA-N
Compound name
1-[6-[3-[2,6-dimethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]propyl]pyridazin-3-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.14093 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.14821 199.4
[M+Na]+ 443.13015 209.4
[M-H]- 419.13365 201.8
[M+NH4]+ 438.17475 204.7
[M+K]+ 459.10409 204.4
[M+H-H2O]+ 403.13819 185.8
[M+HCOO]- 465.13913 212.2
[M+CH3COO]- 479.15478 226.3
[M+Na-2H]- 441.11560 198.6
[M]+ 420.14038 202.3
[M]- 420.14148 202.3
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.