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]+ 385.24858 196.8
[M+Na]+ 407.23052 199.4
[M-H]- 383.23402 199.9
[M+NH4]+ 402.27512 203.8
[M+K]+ 423.20446 194.4
[M+H-H2O]+ 367.23856 186.1
[M+HCOO]- 429.23950 207.9
[M+CH3COO]- 443.25515 218.9
[M+Na-2H]- 405.21597 193.7
[M]+ 384.24075 193.9
[M]- 384.24185 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.