CID 132260806

Pz-2891

Structural Information

Molecular Formula
C20H23N5O
SMILES
CC(C)C1=CC=C(C=C1)CC(=O)N2CCN(CC2)C3=NN=C(C=C3)C#N
InChI
InChI=1S/C20H23N5O/c1-15(2)17-5-3-16(4-6-17)13-20(26)25-11-9-24(10-12-25)19-8-7-18(14-21)22-23-19/h3-8,15H,9-13H2,1-2H3
InChIKey
LGWDVWIZDPGCFG-UHFFFAOYSA-N
Compound name
6-[4-[2-(4-propan-2-ylphenyl)acetyl]piperazin-1-yl]pyridazine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

24
Patents

349.19025 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.197526 182.4
[M+Na]+ 372.179468 188.5
[M-H]- 348.182974 182.9
[M+NH4]+ 367.224073 187.5
[M+K]+ 388.153408 181.5
[M+H-H2O]+ 332.187510 163.2
[M+HCOO]- 394.188451 191.2
[M+CH3COO]- 408.204101 187.9
[M+Na-2H]- 370.164916 182.0
[M]+ 349.18970142 173.4
[M]- 349.19079858 173.4
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