CID 113750

2-propanol, 1-(2-isopropyl-5-methylphenoxy)-3-(4-phenylpiperazinyl)-, dihydrochloride

Structural Information

Molecular Formula
C23H32N2O2
SMILES
CC1=CC(=C(C=C1)C(C)C)OCC(CN2CCN(CC2)C3=CC=CC=C3)O
InChI
InChI=1S/C23H32N2O2/c1-18(2)22-10-9-19(3)15-23(22)27-17-21(26)16-24-11-13-25(14-12-24)20-7-5-4-6-8-20/h4-10,15,18,21,26H,11-14,16-17H2,1-3H3
InChIKey
CKSPQZJMLYBIJI-UHFFFAOYSA-N
Compound name
1-(5-methyl-2-propan-2-ylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.24637 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.253646 193.7
[M+Na]+ 391.235588 195.9
[M-H]- 367.239094 197.6
[M+NH4]+ 386.280193 201.7
[M+K]+ 407.209528 190.9
[M+H-H2O]+ 351.243630 182.4
[M+HCOO]- 413.244571 206.0
[M+CH3COO]- 427.260221 217.8
[M+Na-2H]- 389.221036 191.5
[M]+ 368.24582142 190.7
[M]- 368.24691858 190.7
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.