CID 113726

63715-97-9

Structural Information

Molecular Formula
C24H32N2O4
SMILES
CC1=C(C=C(C=C1)N2CCN(CC2)CC(COC3=C(C=CC(=C3)OC)C(=O)C)O)C
InChI
InChI=1S/C24H32N2O4/c1-17-5-6-20(13-18(17)2)26-11-9-25(10-12-26)15-21(28)16-30-24-14-22(29-4)7-8-23(24)19(3)27/h5-8,13-14,21,28H,9-12,15-16H2,1-4H3
InChIKey
NIUUGPLYTQYEQM-UHFFFAOYSA-N
Compound name
1-[2-[3-[4-(3,4-dimethylphenyl)piperazin-1-yl]-2-hydroxypropoxy]-4-methoxyphenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.2362 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.24348 202.8
[M+Na]+ 435.22542 206.3
[M-H]- 411.22892 207.4
[M+NH4]+ 430.27002 209.3
[M+K]+ 451.19936 202.2
[M+H-H2O]+ 395.23346 191.5
[M+HCOO]- 457.23440 215.3
[M+CH3COO]- 471.25005 226.9
[M+Na-2H]- 433.21087 198.9
[M]+ 412.23565 203.1
[M]- 412.23675 203.1
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.