CID 3073157

146824-87-5

Structural Information

Molecular Formula
C21H16FN3O2
SMILES
CC1=CC(=O)C(=NN1C2=CC(=CC=C2)F)OCC3=NC4=CC=CC=C4C=C3
InChI
InChI=1S/C21H16FN3O2/c1-14-11-20(26)21(24-25(14)18-7-4-6-16(22)12-18)27-13-17-10-9-15-5-2-3-8-19(15)23-17/h2-12H,13H2,1H3
InChIKey
LUODATSULADMRL-UHFFFAOYSA-N
Compound name
1-(3-fluorophenyl)-6-methyl-3-(quinolin-2-ylmethoxy)pyridazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

361.12265 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.12993 188.1
[M+Na]+ 384.11187 198.8
[M-H]- 360.11537 193.8
[M+NH4]+ 379.15647 197.1
[M+K]+ 400.08581 191.0
[M+H-H2O]+ 344.11991 174.6
[M+HCOO]- 406.12085 205.9
[M+CH3COO]- 420.13650 197.8
[M+Na-2H]- 382.09732 193.2
[M]+ 361.12210 189.6
[M]- 361.12320 189.6
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

patents stripe