CID 3068845

83881-43-0

Structural Information

Molecular Formula
C22H29N3O3
SMILES
COC1=CC=C(C=C1)C(C2=CC=CC=C2)N3CCN(CC3)CCOCC(=O)N
InChI
InChI=1S/C22H29N3O3/c1-27-20-9-7-19(8-10-20)22(18-5-3-2-4-6-18)25-13-11-24(12-14-25)15-16-28-17-21(23)26/h2-10,22H,11-17H2,1H3,(H2,23,26)
InChIKey
VWUIWLKDHSYNPL-UHFFFAOYSA-N
Compound name
2-[2-[4-[(4-methoxyphenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

383.2209 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.22818 194.9
[M+Na]+ 406.21012 205.9
[M+NH4]+ 401.25472 200.5
[M+K]+ 422.18406 199.2
[M-H]- 382.21362 199.3
[M+Na-2H]- 404.19557 201.7
[M]+ 383.22035 197.4
[M]- 383.22145 197.4
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

patents stripe