CID 113731

1-(2-allylphenoxy)-3-(4-(3,4-dimethylphenyl)piperazinyl)-2-propanol dihydrochloride

Structural Information

Molecular Formula
C24H32N2O2
SMILES
CC1=C(C=C(C=C1)N2CCN(CC2)CC(COC3=CC=CC=C3CC=C)O)C
InChI
InChI=1S/C24H32N2O2/c1-4-7-21-8-5-6-9-24(21)28-18-23(27)17-25-12-14-26(15-13-25)22-11-10-19(2)20(3)16-22/h4-6,8-11,16,23,27H,1,7,12-15,17-18H2,2-3H3
InChIKey
HDYXSUPRKYOJAS-UHFFFAOYSA-N
Compound name
1-[4-(3,4-dimethylphenyl)piperazin-1-yl]-3-(2-prop-2-enylphenoxy)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.24637 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.25365 197.6
[M+Na]+ 403.23559 201.0
[M-H]- 379.23909 201.7
[M+NH4]+ 398.28019 205.5
[M+K]+ 419.20953 194.6
[M+H-H2O]+ 363.24363 186.3
[M+HCOO]- 425.24457 210.8
[M+CH3COO]- 439.26022 220.4
[M+Na-2H]- 401.22104 195.3
[M]+ 380.24582 195.2
[M]- 380.24692 195.2
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.