CID 120974

Brn 0627366

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]+ 355.23802 190.6
[M+Na]+ 377.21996 205.6
[M+NH4]+ 372.26456 198.1
[M+K]+ 393.19390 196.5
[M-H]- 353.22346 196.4
[M+Na-2H]- 375.20541 198.6
[M]+ 354.23019 194.5
[M]- 354.23129 194.5
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.