CID 22609888

233275-76-8

Structural Information

Molecular Formula
C19H17F2N7O
SMILES
CN1C(=NC=N1)COC2=NN3C(=NN=C3C4=C(C=CC=C4F)F)C=C2C5CCC5
InChI
InChI=1S/C19H17F2N7O/c1-27-16(22-10-23-27)9-29-19-12(11-4-2-5-11)8-15-24-25-18(28(15)26-19)17-13(20)6-3-7-14(17)21/h3,6-8,10-11H,2,4-5,9H2,1H3
InChIKey
GOIFCXRIFSYPFG-UHFFFAOYSA-N
Compound name
7-cyclobutyl-3-(2,6-difluorophenyl)-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

47
Patents

397.14627 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.15355 190.5
[M+Na]+ 420.13549 201.5
[M-H]- 396.13899 194.0
[M+NH4]+ 415.18009 190.8
[M+K]+ 436.10943 196.3
[M+H-H2O]+ 380.14353 171.5
[M+HCOO]- 442.14447 203.5
[M+CH3COO]- 456.16012 198.5
[M+Na-2H]- 418.12094 188.7
[M]+ 397.14572 200.8
[M]- 397.14682 200.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe