CID 9969202

Mk9bpi11ih

Structural Information

Molecular Formula
C18H18FN7O
SMILES
CC(C)(C)C1=CC2=NN=C(N2N=C1OCC3=NC=NN3)C4=CC=CC=C4F
InChI
InChI=1S/C18H18FN7O/c1-18(2,3)12-8-15-23-24-16(11-6-4-5-7-13(11)19)26(15)25-17(12)27-9-14-20-10-21-22-14/h4-8,10H,9H2,1-3H3,(H,20,21,22)
InChIKey
GRECTROMILPREZ-UHFFFAOYSA-N
Compound name
7-tert-butyl-3-(2-fluorophenyl)-6-(1H-1,2,4-triazol-5-ylmethoxy)-[1,2,4]triazolo[4,3-b]pyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

367.1557 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.16298 189.4
[M+Na]+ 390.14492 201.0
[M-H]- 366.14842 190.8
[M+NH4]+ 385.18952 196.3
[M+K]+ 406.11886 193.3
[M+H-H2O]+ 350.15296 177.2
[M+HCOO]- 412.15390 202.6
[M+CH3COO]- 426.16955 198.0
[M+Na-2H]- 388.13037 191.7
[M]+ 367.15515 192.0
[M]- 367.15625 192.0
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