CID 455372

Chembl1194914

Structural Information

Molecular Formula
C19H25N3O
SMILES
CC1=CC(=CC(=C1OC)C)CN2CCN(CC2)C3=CC=CC=N3
InChI
InChI=1S/C19H25N3O/c1-15-12-17(13-16(2)19(15)23-3)14-21-8-10-22(11-9-21)18-6-4-5-7-20-18/h4-7,12-13H,8-11,14H2,1-3H3
InChIKey
XCSNEXKMWKSQJT-UHFFFAOYSA-N
Compound name
1-[(4-methoxy-3,5-dimethylphenyl)methyl]-4-pyridin-2-ylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

311.19977 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.20705 178.9
[M+Na]+ 334.18899 185.2
[M-H]- 310.19249 183.8
[M+NH4]+ 329.23359 189.2
[M+K]+ 350.16293 179.7
[M+H-H2O]+ 294.19703 167.2
[M+HCOO]- 356.19797 194.5
[M+CH3COO]- 370.21362 188.0
[M+Na-2H]- 332.17444 180.6
[M]+ 311.19922 177.0
[M]- 311.20032 177.0
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

No patent data available for this compound.