CID 11151363

Abt-107

Structural Information

Molecular Formula
C19H20N4O
SMILES
C1CN2CCC1[C@H](C2)OC3=NN=C(C=C3)C4=CC5=C(C=C4)NC=C5
InChI
InChI=1S/C19H20N4O/c1-2-16-15(5-8-20-16)11-14(1)17-3-4-19(22-21-17)24-18-12-23-9-6-13(18)7-10-23/h1-5,8,11,13,18,20H,6-7,9-10,12H2/t18-/m0/s1
InChIKey
LUKNJAQKVPBDSC-SFHVURJKSA-N
Compound name
5-[6-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]pyridazin-3-yl]-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

15
References

220
Patents

320.1637 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.17098 165.3
[M+Na]+ 343.15292 170.6
[M-H]- 319.15642 163.0
[M+NH4]+ 338.19752 179.9
[M+K]+ 359.12686 164.0
[M+H-H2O]+ 303.16096 154.3
[M+HCOO]- 365.16190 172.4
[M+CH3COO]- 379.17755 172.8
[M+Na-2H]- 341.13837 174.7
[M]+ 320.16315 165.9
[M]- 320.16425 165.9
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