CID 146396

93035-33-7

Structural Information

Molecular Formula
C27H32N2O3
SMILES
COC1=C(C=C(C=C1)C(CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)O)OC
InChI
InChI=1S/C27H32N2O3/c1-31-25-14-13-23(19-26(25)32-2)24(30)20-28-15-17-29(18-16-28)27(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-14,19,24,27,30H,15-18,20H2,1-2H3
InChIKey
PIKMDZDCXCAPEF-UHFFFAOYSA-N
Compound name
2-(4-benzhydrylpiperazin-1-yl)-1-(3,4-dimethoxyphenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

15
References

321
Patents

432.2413 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.24858 207.7
[M+Na]+ 455.23052 208.9
[M-H]- 431.23402 214.3
[M+NH4]+ 450.27512 212.1
[M+K]+ 471.20446 203.3
[M+H-H2O]+ 415.23856 194.5
[M+HCOO]- 477.23950 219.8
[M+CH3COO]- 491.25515 213.3
[M+Na-2H]- 453.21597 206.0
[M]+ 432.24075 204.4
[M]- 432.24185 204.4
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