CID 24864821

Amg-208

Structural Information

Molecular Formula
C22H17N5O2
SMILES
COC1=CC2=NC=CC(=C2C=C1)OCC3=NN=C4N3N=C(C=C4)C5=CC=CC=C5
InChI
InChI=1S/C22H17N5O2/c1-28-16-7-8-17-19(13-16)23-12-11-20(17)29-14-22-25-24-21-10-9-18(26-27(21)22)15-5-3-2-4-6-15/h2-13H,14H2,1H3
InChIKey
HEAIZQNMNCHNFD-UHFFFAOYSA-N
Compound name
7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

21
References

809
Patents

383.1382 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.14548 193.0
[M+Na]+ 406.12742 203.7
[M-H]- 382.13092 198.6
[M+NH4]+ 401.17202 200.7
[M+K]+ 422.10136 195.7
[M+H-H2O]+ 366.13546 179.3
[M+HCOO]- 428.13640 210.2
[M+CH3COO]- 442.15205 202.1
[M+Na-2H]- 404.11287 199.3
[M]+ 383.13765 197.6
[M]- 383.13875 197.6
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