CID 3073150

146824-80-8

Structural Information

Molecular Formula
C14H14F3N3O2
SMILES
CC1=CC(=O)C(=NN1C2=CC=CC(=C2)C(F)(F)F)OCCN
InChI
InChI=1S/C14H14F3N3O2/c1-9-7-12(21)13(22-6-5-18)19-20(9)11-4-2-3-10(8-11)14(15,16)17/h2-4,7-8H,5-6,18H2,1H3
InChIKey
WTINKPRHAWGIIC-UHFFFAOYSA-N
Compound name
3-(2-aminoethoxy)-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

313.10382 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.11110 169.7
[M+Na]+ 336.09304 179.9
[M-H]- 312.09654 170.2
[M+NH4]+ 331.13764 181.5
[M+K]+ 352.06698 174.7
[M+H-H2O]+ 296.10108 158.2
[M+HCOO]- 358.10202 187.4
[M+CH3COO]- 372.11767 207.6
[M+Na-2H]- 334.07849 173.1
[M]+ 313.10327 167.8
[M]- 313.10437 167.8
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

patents stripe