CID 3049537

64966-24-1

Structural Information

Molecular Formula
C23H32N2O5
SMILES
COC1=C(C(=C(C=C1)CN2CCN(CC2)CC(COC3=CC=CC=C3)O)OC)OC
InChI
InChI=1S/C23H32N2O5/c1-27-21-10-9-18(22(28-2)23(21)29-3)15-24-11-13-25(14-12-24)16-19(26)17-30-20-7-5-4-6-8-20/h4-10,19,26H,11-17H2,1-3H3
InChIKey
XAWVEPVQIOQHPG-UHFFFAOYSA-N
Compound name
1-phenoxy-3-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

416.2311 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.23838 202.3
[M+Na]+ 439.22032 205.0
[M-H]- 415.22382 206.5
[M+NH4]+ 434.26492 208.3
[M+K]+ 455.19426 201.7
[M+H-H2O]+ 399.22836 190.3
[M+HCOO]- 461.22930 216.0
[M+CH3COO]- 475.24495 224.5
[M+Na-2H]- 437.20577 200.8
[M]+ 416.23055 204.4
[M]- 416.23165 204.4
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

patents stripe