CID 11175137

At7867

Structural Information

Molecular Formula
C20H20ClN3
SMILES
C1CNCCC1(C2=CC=C(C=C2)C3=CNN=C3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C20H20ClN3/c21-19-7-5-18(6-8-19)20(9-11-22-12-10-20)17-3-1-15(2-4-17)16-13-23-24-14-16/h1-8,13-14,22H,9-12H2,(H,23,24)
InChIKey
LZMOSYUFVYJEPY-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)-4-[4-(1H-pyrazol-4-yl)phenyl]piperidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

24
References

248
Patents

337.13458 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.14186 180.5
[M+Na]+ 360.12380 186.7
[M-H]- 336.12730 185.6
[M+NH4]+ 355.16840 192.0
[M+K]+ 376.09774 177.2
[M+H-H2O]+ 320.13184 168.8
[M+HCOO]- 382.13278 190.2
[M+CH3COO]- 396.14843 188.5
[M+Na-2H]- 358.10925 181.9
[M]+ 337.13403 173.9
[M]- 337.13513 173.9
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