CID 3066013

109376-99-0

Structural Information

Molecular Formula
C22H35N3O5
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(CC2)CC(CN3CCCCC3)O
InChI
InChI=1S/C22H35N3O5/c1-28-19-13-17(14-20(29-2)21(19)30-3)22(27)25-11-9-24(10-12-25)16-18(26)15-23-7-5-4-6-8-23/h13-14,18,26H,4-12,15-16H2,1-3H3
InChIKey
DZWSFCBEIDGLLO-UHFFFAOYSA-N
Compound name
[4-(2-hydroxy-3-piperidin-1-ylpropyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.25766 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.26494 204.2
[M+Na]+ 444.24688 204.6
[M-H]- 420.25038 206.2
[M+NH4]+ 439.29148 208.4
[M+K]+ 460.22082 201.8
[M+H-H2O]+ 404.25492 192.2
[M+HCOO]- 466.25586 211.9
[M+CH3COO]- 480.27151 225.2
[M+Na-2H]- 442.23233 199.5
[M]+ 421.25711 201.1
[M]- 421.25821 201.1
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.