CID 11971416

1-((5,6-dimethyl-5-phenyl-1,4-dioxan-2-yl)methyl)-4-(2-methoxyphenyl)piperazine

Structural Information

Molecular Formula
C24H32N2O3
SMILES
CC1C(OCC(O1)CN2CCN(CC2)C3=CC=CC=C3OC)(C)C4=CC=CC=C4
InChI
InChI=1S/C24H32N2O3/c1-19-24(2,20-9-5-4-6-10-20)28-18-21(29-19)17-25-13-15-26(16-14-25)22-11-7-8-12-23(22)27-3/h4-12,19,21H,13-18H2,1-3H3
InChIKey
VPINXBMMDNJGPI-UHFFFAOYSA-N
Compound name
1-[(5,6-dimethyl-5-phenyl-1,4-dioxan-2-yl)methyl]-4-(2-methoxyphenyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.2413 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.24858 201.7
[M+Na]+ 419.23052 205.1
[M-H]- 395.23402 211.1
[M+NH4]+ 414.27512 208.2
[M+K]+ 435.20446 202.8
[M+H-H2O]+ 379.23856 188.6
[M+HCOO]- 441.23950 212.4
[M+CH3COO]- 455.25515 208.8
[M+Na-2H]- 417.21597 201.8
[M]+ 396.24075 198.2
[M]- 396.24185 198.2
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.