CID 14731

Brn 0630051

Structural Information

Molecular Formula
C22H29N3O3
SMILES
CC(=O)NC1=CC=CC=C1N2CCN(CC2)CCC3=CC(=C(C=C3)OC)OC
InChI
InChI=1S/C22H29N3O3/c1-17(26)23-19-6-4-5-7-20(19)25-14-12-24(13-15-25)11-10-18-8-9-21(27-2)22(16-18)28-3/h4-9,16H,10-15H2,1-3H3,(H,23,26)
InChIKey
JTSYZEMBBZSXBR-UHFFFAOYSA-N
Compound name
N-[2-[4-[2-(3,4-dimethoxyphenyl)ethyl]piperazin-1-yl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

383.2209 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.22818 195.4
[M+Na]+ 406.21012 199.0
[M-H]- 382.21362 201.2
[M+NH4]+ 401.25472 203.4
[M+K]+ 422.18406 194.6
[M+H-H2O]+ 366.21816 183.5
[M+HCOO]- 428.21910 212.0
[M+CH3COO]- 442.23475 223.5
[M+Na-2H]- 404.19557 195.2
[M]+ 383.22035 194.8
[M]- 383.22145 194.8
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