CID 36910

Zipeprol

Structural Information

Molecular Formula
C23H32N2O3
SMILES
COC(CN1CCN(CC1)CC(C(C2=CC=CC=C2)OC)O)C3=CC=CC=C3
InChI
InChI=1S/C23H32N2O3/c1-27-22(19-9-5-3-6-10-19)18-25-15-13-24(14-16-25)17-21(26)23(28-2)20-11-7-4-8-12-20/h3-12,21-23,26H,13-18H2,1-2H3
InChIKey
VSTNNAYSCJQCQI-UHFFFAOYSA-N
Compound name
1-methoxy-3-[4-(2-methoxy-2-phenylethyl)piperazin-1-yl]-1-phenylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

36
References

669
Patents

384.2413 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.24858 195.4
[M+Na]+ 407.23052 195.2
[M-H]- 383.23402 198.6
[M+NH4]+ 402.27512 201.9
[M+K]+ 423.20446 191.4
[M+H-H2O]+ 367.23856 183.7
[M+HCOO]- 429.23950 206.9
[M+CH3COO]- 443.25515 218.3
[M+Na-2H]- 405.21597 193.7
[M]+ 384.24075 192.3
[M]- 384.24185 192.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe