CID 15541506

Sc-806

Structural Information

Molecular Formula
C19H20ClN5
SMILES
CN1CCN(CC1)C2=NNC(=C2C3=CC=NC=C3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C19H20ClN5/c1-24-10-12-25(13-11-24)19-17(14-6-8-21-9-7-14)18(22-23-19)15-2-4-16(20)5-3-15/h2-9H,10-13H2,1H3,(H,22,23)
InChIKey
BKQFXMIFPQJYMZ-UHFFFAOYSA-N
Compound name
1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-4-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

31
Patents

353.14072 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.14800 185.4
[M+Na]+ 376.12994 202.1
[M+NH4]+ 371.17454 192.8
[M+K]+ 392.10388 194.7
[M-H]- 352.13344 191.0
[M+Na-2H]- 374.11539 195.4
[M]+ 353.14017 189.7
[M]- 353.14127 189.7
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