CID 121092

Brn 0626761

Structural Information

Molecular Formula
C22H30N2O2
SMILES
CC1=CC(=C(C=C1)N2CCN(CC2)CCC3=CC(=C(C=C3)OC)OC)C
InChI
InChI=1S/C22H30N2O2/c1-17-5-7-20(18(2)15-17)24-13-11-23(12-14-24)10-9-19-6-8-21(25-3)22(16-19)26-4/h5-8,15-16H,9-14H2,1-4H3
InChIKey
BYMBDGPPXTZZOX-UHFFFAOYSA-N
Compound name
1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2,4-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]+ 355.23802 190.5
[M+Na]+ 377.21996 196.1
[M-H]- 353.22346 196.6
[M+NH4]+ 372.26456 200.6
[M+K]+ 393.19390 191.1
[M+H-H2O]+ 337.22800 179.0
[M+HCOO]- 399.22894 206.6
[M+CH3COO]- 413.24459 218.0
[M+Na-2H]- 375.20541 189.9
[M]+ 354.23019 190.9
[M]- 354.23129 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.