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]+ 312.207046 178.9
[M+Na]+ 334.188988 185.2
[M-H]- 310.192494 183.8
[M+NH4]+ 329.233593 189.2
[M+K]+ 350.162928 179.7
[M+H-H2O]+ 294.197030 167.2
[M+HCOO]- 356.197971 194.5
[M+CH3COO]- 370.213621 188.0
[M+Na-2H]- 332.174436 180.6
[M]+ 311.19922142 177.0
[M]- 311.20031858 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.