CID 20747

Ma 568

Structural Information

Molecular Formula
C24H32N2O5
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)OCCCCN2CCN(CC2)C3=CC=CC=C3
InChI
InChI=1S/C24H32N2O5/c1-28-21-17-19(18-22(29-2)23(21)30-3)24(27)31-16-8-7-11-25-12-14-26(15-13-25)20-9-5-4-6-10-20/h4-6,9-10,17-18H,7-8,11-16H2,1-3H3
InChIKey
RJRFVKJEQCCOTJ-UHFFFAOYSA-N
Compound name
4-(4-phenylpiperazin-1-yl)butyl 3,4,5-trimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.2311 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.23838 205.9
[M+Na]+ 451.22032 209.0
[M-H]- 427.22382 211.3
[M+NH4]+ 446.26492 212.1
[M+K]+ 467.19426 205.7
[M+H-H2O]+ 411.22836 193.4
[M+HCOO]- 473.22930 221.0
[M+CH3COO]- 487.24495 228.4
[M+Na-2H]- 449.20577 204.3
[M]+ 428.23055 209.4
[M]- 428.23165 209.4
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.