CID 3071160

87429-91-2

Structural Information

Molecular Formula
C25H28N2O2
SMILES
C1CN(CCN1CC(C2=CC=C(C=C2)O)O)C(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C25H28N2O2/c28-23-13-11-20(12-14-23)24(29)19-26-15-17-27(18-16-26)25(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-14,24-25,28-29H,15-19H2
InChIKey
GFSURARAIBJHTM-UHFFFAOYSA-N
Compound name
4-[2-(4-benzhydrylpiperazin-1-yl)-1-hydroxyethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

388.2151 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.22238 195.2
[M+Na]+ 411.20432 196.3
[M-H]- 387.20782 200.5
[M+NH4]+ 406.24892 200.6
[M+K]+ 427.17826 189.4
[M+H-H2O]+ 371.21236 182.9
[M+HCOO]- 433.21330 206.5
[M+CH3COO]- 447.22895 200.9
[M+Na-2H]- 409.18977 194.9
[M]+ 388.21455 187.8
[M]- 388.21565 187.8
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