CID 3057381

74037-83-5

Structural Information

Molecular Formula
C20H26N2O2
SMILES
COC1=CC=C(C=C1)CC(CN2CCN(CC2)C3=CC=CC=C3)O
InChI
InChI=1S/C20H26N2O2/c1-24-20-9-7-17(8-10-20)15-19(23)16-21-11-13-22(14-12-21)18-5-3-2-4-6-18/h2-10,19,23H,11-16H2,1H3
InChIKey
XIKHTMGVSBIVJU-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)-3-(4-phenylpiperazin-1-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.19943 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.20671 180.5
[M+Na]+ 349.18865 183.5
[M-H]- 325.19215 184.6
[M+NH4]+ 344.23325 190.1
[M+K]+ 365.16259 178.5
[M+H-H2O]+ 309.19669 169.4
[M+HCOO]- 371.19763 194.9
[M+CH3COO]- 385.21328 206.9
[M+Na-2H]- 347.17410 181.8
[M]+ 326.19888 176.6
[M]- 326.19998 176.6
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.