CID 3072699

1-diphenylmethyl-4-(2-hydroxy-3-(2-(2-methoxyphenyl)ethylamino)propyl)-piperazine

Structural Information

Molecular Formula
C29H37N3O2
SMILES
COC1=CC=CC=C1CCNCC(CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)O
InChI
InChI=1S/C29H37N3O2/c1-34-28-15-9-8-10-24(28)16-17-30-22-27(33)23-31-18-20-32(21-19-31)29(25-11-4-2-5-12-25)26-13-6-3-7-14-26/h2-15,27,29-30,33H,16-23H2,1H3
InChIKey
SHWZMLDQBLRXLG-UHFFFAOYSA-N
Compound name
1-(4-benzhydrylpiperazin-1-yl)-3-[2-(2-methoxyphenyl)ethylamino]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

459.28857 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.29585 214.2
[M+Na]+ 482.27779 212.8
[M-H]- 458.28129 219.8
[M+NH4]+ 477.32239 216.8
[M+K]+ 498.25173 206.1
[M+H-H2O]+ 442.28583 200.4
[M+HCOO]- 504.28677 226.5
[M+CH3COO]- 518.30242 218.2
[M+Na-2H]- 480.26324 213.0
[M]+ 459.28802 209.1
[M]- 459.28912 209.1
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