CID 117978132

1690173-99-9

Structural Information

Molecular Formula
C27H31FN8O2
SMILES
CC1=NC(=NN1)C(=O)N2CCN(C(C2)(C)C)C(=O)C3=CN4C(=N3)C(=CC(=N4)C5=CC=C(C=C5)F)C(C)(C)C
InChI
InChI=1S/C27H31FN8O2/c1-16-29-22(32-31-16)25(38)34-11-12-35(27(5,6)15-34)24(37)21-14-36-23(30-21)19(26(2,3)4)13-20(33-36)17-7-9-18(28)10-8-17/h7-10,13-14H,11-12,15H2,1-6H3,(H,29,31,32)
InChIKey
DWEGVIUHJKAMGX-UHFFFAOYSA-N
Compound name
[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-[2,2-dimethyl-4-(5-methyl-1H-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

15
Patents

518.2554 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 519.26268 221.1
[M+Na]+ 541.24462 233.2
[M+NH4]+ 536.28922 223.9
[M+K]+ 557.21856 231.3
[M-H]- 517.24812 221.3
[M+Na-2H]- 539.23007 226.9
[M]+ 518.25485 222.7
[M]- 518.25595 222.7
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