CID 113751

Dtxsid40980074

Structural Information

Molecular Formula
C23H30N2O3
SMILES
CC=CC1=C(C=C(C=C1)OCC(CN2CCN(CC2)C3=CC=CC=C3)O)OC
InChI
InChI=1S/C23H30N2O3/c1-3-7-19-10-11-22(16-23(19)27-2)28-18-21(26)17-24-12-14-25(15-13-24)20-8-5-4-6-9-20/h3-11,16,21,26H,12-15,17-18H2,1-2H3
InChIKey
PIJNJERADPPXJC-UHFFFAOYSA-N
Compound name
1-(3-methoxy-4-prop-1-enylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.22565 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.232926 196.2
[M+Na]+ 405.214868 198.9
[M-H]- 381.218374 200.1
[M+NH4]+ 400.259473 203.6
[M+K]+ 421.188808 193.4
[M+H-H2O]+ 365.222910 184.5
[M+HCOO]- 427.223851 209.9
[M+CH3COO]- 441.239501 217.7
[M+Na-2H]- 403.200316 195.1
[M]+ 382.22510142 194.3
[M]- 382.22619858 194.3
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.