CID 211934

23771-30-4

Structural Information

Molecular Formula
C22H28N2O4
SMILES
COC1=C(C=C(C=C1)C(=O)CCN2CCN(CC2)C3=CC=CC=C3OC)OC
InChI
InChI=1S/C22H28N2O4/c1-26-20-7-5-4-6-18(20)24-14-12-23(13-15-24)11-10-19(25)17-8-9-21(27-2)22(16-17)28-3/h4-9,16H,10-15H2,1-3H3
InChIKey
YEBFRRCKLLBJIK-UHFFFAOYSA-N
Compound name
1-(3,4-dimethoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.2049 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.21218 194.4
[M+Na]+ 407.19412 198.6
[M-H]- 383.19762 200.2
[M+NH4]+ 402.23872 202.5
[M+K]+ 423.16806 194.9
[M+H-H2O]+ 367.20216 182.6
[M+HCOO]- 429.20310 210.0
[M+CH3COO]- 443.21875 221.1
[M+Na-2H]- 405.17957 193.7
[M]+ 384.20435 195.9
[M]- 384.20545 195.9
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.