CID 9821511

202646-80-8

Structural Information

Molecular Formula
C23H23N5O
SMILES
CN1CCC(CC1)N2C(=O)C=CC(=N2)C3=C4C=CC=CN4N=C3C5=CC=CC=C5
InChI
InChI=1S/C23H23N5O/c1-26-15-12-18(13-16-26)28-21(29)11-10-19(24-28)22-20-9-5-6-14-27(20)25-23(22)17-7-3-2-4-8-17/h2-11,14,18H,12-13,15-16H2,1H3
InChIKey
YHDRUTMZCJZJAL-UHFFFAOYSA-N
Compound name
2-(1-methylpiperidin-4-yl)-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

23
Patents

385.19025 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.197526 196.9
[M+Na]+ 408.179468 205.7
[M-H]- 384.182974 203.9
[M+NH4]+ 403.224073 203.4
[M+K]+ 424.153408 196.7
[M+H-H2O]+ 368.187510 182.6
[M+HCOO]- 430.188451 211.2
[M+CH3COO]- 444.204101 204.8
[M+Na-2H]- 406.164916 198.1
[M]+ 385.18970142 194.9
[M]- 385.19079858 194.9
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