CID 120964

Piperazine, 1-(o-bromophenyl)-4-(3,4-dimethoxyphenethyl)-

Structural Information

Molecular Formula
C20H25BrN2O2
SMILES
COC1=C(C=C(C=C1)CCN2CCN(CC2)C3=CC=CC=C3Br)OC
InChI
InChI=1S/C20H25BrN2O2/c1-24-19-8-7-16(15-20(19)25-2)9-10-22-11-13-23(14-12-22)18-6-4-3-5-17(18)21/h3-8,15H,9-14H2,1-2H3
InChIKey
VACAWRIWNVXISJ-UHFFFAOYSA-N
Compound name
1-(2-bromophenyl)-4-[2-(3,4-dimethoxyphenyl)ethyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.10995 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.11723 190.2
[M+Na]+ 427.09917 198.2
[M-H]- 403.10267 198.4
[M+NH4]+ 422.14377 202.1
[M+K]+ 443.07311 186.1
[M+H-H2O]+ 387.10721 186.2
[M+HCOO]- 449.10815 204.9
[M+CH3COO]- 463.12380 218.6
[M+Na-2H]- 425.08462 192.4
[M]+ 404.10940 208.2
[M]- 404.11050 208.2
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.