CID 120974

1052-00-2

Structural Information

Molecular Formula
C22H30N2O2
SMILES
CC1=C(C(=CC=C1)N2CCN(CC2)CCC3=CC(=C(C=C3)OC)OC)C
InChI
InChI=1S/C22H30N2O2/c1-17-6-5-7-20(18(17)2)24-14-12-23(13-15-24)11-10-19-8-9-21(25-3)22(16-19)26-4/h5-9,16H,10-15H2,1-4H3
InChIKey
DKUABKXQTAYDHX-UHFFFAOYSA-N
Compound name
1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2,3-dimethylphenyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.23074 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.238016 190.5
[M+Na]+ 377.219958 196.1
[M-H]- 353.223464 196.6
[M+NH4]+ 372.264563 200.6
[M+K]+ 393.193898 191.1
[M+H-H2O]+ 337.228000 179.0
[M+HCOO]- 399.228941 206.6
[M+CH3COO]- 413.244591 218.0
[M+Na-2H]- 375.205406 189.9
[M]+ 354.23019142 190.9
[M]- 354.23128858 190.9
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.