CID 48336

66903-03-5

Structural Information

Molecular Formula
C23H32N2O5
SMILES
COC1=CC=CC(=C1)N2CCN(CC2)CCC(C3=CC(=C(C(=C3)OC)OC)OC)O
InChI
InChI=1S/C23H32N2O5/c1-27-19-7-5-6-18(16-19)25-12-10-24(11-13-25)9-8-20(26)17-14-21(28-2)23(30-4)22(15-17)29-3/h5-7,14-16,20,26H,8-13H2,1-4H3
InChIKey
NMEZJWFZEAOBNT-UHFFFAOYSA-N
Compound name
3-[4-(3-methoxyphenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.2311 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.23838 202.7
[M+Na]+ 439.22032 206.4
[M-H]- 415.22382 207.4
[M+NH4]+ 434.26492 209.1
[M+K]+ 455.19426 203.2
[M+H-H2O]+ 399.22836 191.0
[M+HCOO]- 461.22930 216.5
[M+CH3COO]- 475.24495 225.8
[M+Na-2H]- 437.20577 200.6
[M]+ 416.23055 205.4
[M]- 416.23165 205.4
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.