CID 3069153

Brn 4558495

Structural Information

Molecular Formula
C20H25BrN2O2
SMILES
COC1=CC=CC=C1N2CCN(CC2)CCCOC3=CC=C(C=C3)Br
InChI
InChI=1S/C20H25BrN2O2/c1-24-20-6-3-2-5-19(20)23-14-12-22(13-15-23)11-4-16-25-18-9-7-17(21)8-10-18/h2-3,5-10H,4,11-16H2,1H3
InChIKey
ONWUOVZKIDLQGD-UHFFFAOYSA-N
Compound name
1-[3-(4-bromophenoxy)propyl]-4-(2-methoxyphenyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.10995 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.11723 189.9
[M+Na]+ 427.09917 197.1
[M-H]- 403.10267 197.8
[M+NH4]+ 422.14377 201.5
[M+K]+ 443.07311 185.0
[M+H-H2O]+ 387.10721 185.8
[M+HCOO]- 449.10815 204.6
[M+CH3COO]- 463.12380 217.5
[M+Na-2H]- 425.08462 192.8
[M]+ 404.10940 207.5
[M]- 404.11050 207.5
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.