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]+ 397.248576 201.7
[M+Na]+ 419.230518 205.1
[M-H]- 395.234024 211.1
[M+NH4]+ 414.275123 208.2
[M+K]+ 435.204458 202.8
[M+H-H2O]+ 379.238560 188.6
[M+HCOO]- 441.239501 212.4
[M+CH3COO]- 455.255151 208.8
[M+Na-2H]- 417.215966 201.8
[M]+ 396.24075142 198.2
[M]- 396.24184858 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.