CID 115953

1-(3,4-dimethoxybenzyl)-4-(2-pyridyl)piperazine

Structural Information

Molecular Formula
C18H23N3O2
SMILES
COC1=C(C=C(C=C1)CN2CCN(CC2)C3=CC=CC=N3)OC
InChI
InChI=1S/C18H23N3O2/c1-22-16-7-6-15(13-17(16)23-2)14-20-9-11-21(12-10-20)18-5-3-4-8-19-18/h3-8,13H,9-12,14H2,1-2H3
InChIKey
SWIHAXIVHRTFQL-UHFFFAOYSA-N
Compound name
1-[(3,4-dimethoxyphenyl)methyl]-4-pyridin-2-ylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.17902 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.18630 177.0
[M+Na]+ 336.16824 182.6
[M-H]- 312.17174 181.6
[M+NH4]+ 331.21284 186.8
[M+K]+ 352.14218 178.0
[M+H-H2O]+ 296.17628 165.0
[M+HCOO]- 358.17722 193.1
[M+CH3COO]- 372.19287 186.0
[M+Na-2H]- 334.15369 180.0
[M]+ 313.17847 175.7
[M]- 313.17957 175.7
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

No patent data available for this compound.