CID 791327

Piperazine, 1-(2-pyridinyl)-4-((3,4,5-trimethoxyphenyl)methyl)-, ethanedioate (1:2)

Structural Information

Molecular Formula
C19H25N3O3
SMILES
COC1=CC(=CC(=C1OC)OC)CN2CCN(CC2)C3=CC=CC=N3
InChI
InChI=1S/C19H25N3O3/c1-23-16-12-15(13-17(24-2)19(16)25-3)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
KAPPUBGOPPIDKV-UHFFFAOYSA-N
Compound name
1-pyridin-2-yl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

12
Patents

343.1896 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.19688 184.7
[M+Na]+ 366.17882 190.6
[M-H]- 342.18232 189.6
[M+NH4]+ 361.22342 193.4
[M+K]+ 382.15276 186.4
[M+H-H2O]+ 326.18686 172.5
[M+HCOO]- 388.18780 200.6
[M+CH3COO]- 402.20345 212.8
[M+Na-2H]- 364.16427 186.5
[M]+ 343.18905 185.6
[M]- 343.19015 185.6
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.