CID 211920

23770-99-2

Structural Information

Molecular Formula
C21H29N3O3
SMILES
COC1=CC(=CC(=C1OC)OC)CCCN2CCN(CC2)C3=CC=CC=N3
InChI
InChI=1S/C21H29N3O3/c1-25-18-15-17(16-19(26-2)21(18)27-3)7-6-10-23-11-13-24(14-12-23)20-8-4-5-9-22-20/h4-5,8-9,15-16H,6-7,10-14H2,1-3H3
InChIKey
QYNBMDUSKNFGOO-UHFFFAOYSA-N
Compound name
1-pyridin-2-yl-4-[3-(3,4,5-trimethoxyphenyl)propyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.2209 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.22818 193.4
[M+Na]+ 394.21012 198.3
[M-H]- 370.21362 197.8
[M+NH4]+ 389.25472 200.9
[M+K]+ 410.18406 193.8
[M+H-H2O]+ 354.21816 180.8
[M+HCOO]- 416.21910 208.6
[M+CH3COO]- 430.23475 218.6
[M+Na-2H]- 392.19557 194.2
[M]+ 371.22035 194.9
[M]- 371.22145 194.9
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.