CID 3073151

146824-81-9

Structural Information

Molecular Formula
C16H18F3N3O2
SMILES
CC1=CC(=O)C(=NN1C2=CC=CC(=C2)C(F)(F)F)OCCN(C)C
InChI
InChI=1S/C16H18F3N3O2/c1-11-9-14(23)15(24-8-7-21(2)3)20-22(11)13-6-4-5-12(10-13)16(17,18)19/h4-6,9-10H,7-8H2,1-3H3
InChIKey
FOZFZVPBCBFFCX-UHFFFAOYSA-N
Compound name
3-[2-(dimethylamino)ethoxy]-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.1351 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.14238 177.6
[M+Na]+ 364.12432 187.1
[M-H]- 340.12782 179.7
[M+NH4]+ 359.16892 189.1
[M+K]+ 380.09826 183.1
[M+H-H2O]+ 324.13236 165.4
[M+HCOO]- 386.13330 195.8
[M+CH3COO]- 400.14895 217.5
[M+Na-2H]- 362.10977 180.4
[M]+ 341.13455 178.6
[M]- 341.13565 178.6
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.