CID 206341

1-piperazineethanol, alpha-(o-(1-hydroxyethyl)phenoxy)-4-(3,4-xylyl)-, dihydrochloride

Structural Information

Molecular Formula
C23H32N2O3
SMILES
CC1=C(C=C(C=C1)N2CCN(CC2)CC(COC3=CC=CC=C3C(C)O)O)C
InChI
InChI=1S/C23H32N2O3/c1-17-8-9-20(14-18(17)2)25-12-10-24(11-13-25)15-21(27)16-28-23-7-5-4-6-22(23)19(3)26/h4-9,14,19,21,26-27H,10-13,15-16H2,1-3H3
InChIKey
KOBYGNRGULJIME-UHFFFAOYSA-N
Compound name
1-[4-(3,4-dimethylphenyl)piperazin-1-yl]-3-[2-(1-hydroxyethyl)phenoxy]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.2413 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.248576 196.8
[M+Na]+ 407.230518 199.4
[M-H]- 383.234024 199.9
[M+NH4]+ 402.275123 203.8
[M+K]+ 423.204458 194.4
[M+H-H2O]+ 367.238560 186.1
[M+HCOO]- 429.239501 207.9
[M+CH3COO]- 443.255151 218.9
[M+Na-2H]- 405.215966 193.7
[M]+ 384.24075142 193.9
[M]- 384.24184858 193.9
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.