CID 9908880

286456-42-6

Structural Information

Molecular Formula
C19H19F2N7O
SMILES
CC(C)(C)C1=CC2=NN=C(N2N=C1OCC3=NC=NN3C)C4=C(C=CC(=C4)F)F
InChI
InChI=1S/C19H19F2N7O/c1-19(2,3)13-8-15-24-25-17(12-7-11(20)5-6-14(12)21)28(15)26-18(13)29-9-16-22-10-23-27(16)4/h5-8,10H,9H2,1-4H3
InChIKey
BQDUNOMMYOKHEP-UHFFFAOYSA-N
Compound name
7-tert-butyl-3-(2,5-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
2
Annotation Hits

44
References

84
Patents

399.16193 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.16921 198.6
[M+Na]+ 422.15115 211.9
[M-H]- 398.15465 200.5
[M+NH4]+ 417.19575 205.4
[M+K]+ 438.12509 204.1
[M+H-H2O]+ 382.15919 185.5
[M+HCOO]- 444.16013 211.8
[M+CH3COO]- 458.17578 207.3
[M+Na-2H]- 420.13660 198.5
[M]+ 399.16138 203.0
[M]- 399.16248 203.0
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