CID 113751

63716-15-4

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]+ 383.23293 196.2
[M+Na]+ 405.21487 198.9
[M-H]- 381.21837 200.1
[M+NH4]+ 400.25947 203.6
[M+K]+ 421.18881 193.4
[M+H-H2O]+ 365.22291 184.5
[M+HCOO]- 427.22385 209.9
[M+CH3COO]- 441.23950 217.7
[M+Na-2H]- 403.20032 195.1
[M]+ 382.22510 194.3
[M]- 382.22620 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.