CID 28756

17766-66-4

Structural Information

Molecular Formula
C20H23ClN2O4
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(CC2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C20H23ClN2O4/c1-25-17-12-14(13-18(26-2)19(17)27-3)20(24)23-10-8-22(9-11-23)16-6-4-15(21)5-7-16/h4-7,12-13H,8-11H2,1-3H3
InChIKey
AGNKVORHQMBUCU-UHFFFAOYSA-N
Compound name
[4-(4-chlorophenyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.13464 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.14192 191.1
[M+Na]+ 413.12386 198.0
[M-H]- 389.12736 197.6
[M+NH4]+ 408.16846 200.4
[M+K]+ 429.09780 193.4
[M+H-H2O]+ 373.13190 180.4
[M+HCOO]- 435.13284 202.9
[M+CH3COO]- 449.14849 219.4
[M+Na-2H]- 411.10931 190.4
[M]+ 390.13409 194.7
[M]- 390.13519 194.7
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.