CID 15950717

Lx-6171

Structural Information

Molecular Formula
C22H20ClN3O
SMILES
C1CN(CCC1C(=O)C2=CC=C(C=C2)C3=CC(=CC=C3)Cl)C4=NC=CC=N4
InChI
InChI=1S/C22H20ClN3O/c23-20-4-1-3-19(15-20)16-5-7-17(8-6-16)21(27)18-9-13-26(14-10-18)22-24-11-2-12-25-22/h1-8,11-12,15,18H,9-10,13-14H2
InChIKey
VHTIWIZIPOXSNP-UHFFFAOYSA-N
Compound name
[4-(3-chlorophenyl)phenyl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanone
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

39
Patents

377.1295 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.13678 190.7
[M+Na]+ 400.11872 196.4
[M-H]- 376.12222 197.6
[M+NH4]+ 395.16332 197.7
[M+K]+ 416.09266 188.2
[M+H-H2O]+ 360.12676 177.4
[M+HCOO]- 422.12770 200.8
[M+CH3COO]- 436.14335 198.3
[M+Na-2H]- 398.10417 192.3
[M]+ 377.12895 187.5
[M]- 377.13005 187.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe