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]+ 417.238376 202.7
[M+Na]+ 439.220318 206.4
[M-H]- 415.223824 207.4
[M+NH4]+ 434.264923 209.1
[M+K]+ 455.194258 203.2
[M+H-H2O]+ 399.228360 191.0
[M+HCOO]- 461.229301 216.5
[M+CH3COO]- 475.244951 225.8
[M+Na-2H]- 437.205766 200.6
[M]+ 416.23055142 205.4
[M]- 416.23164858 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.