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]+ 369.25365 193.7
[M+Na]+ 391.23559 195.9
[M-H]- 367.23909 197.6
[M+NH4]+ 386.28019 201.7
[M+K]+ 407.20953 190.9
[M+H-H2O]+ 351.24363 182.4
[M+HCOO]- 413.24457 206.0
[M+CH3COO]- 427.26022 217.8
[M+Na-2H]- 389.22104 191.5
[M]+ 368.24582 190.7
[M]- 368.24692 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.