CID 28757

17766-68-6

Structural Information

Molecular Formula
C21H26N2O5
SMILES
COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C21H26N2O5/c1-25-17-8-6-5-7-16(17)22-9-11-23(12-10-22)21(24)15-13-18(26-2)20(28-4)19(14-15)27-3/h5-8,13-14H,9-12H2,1-4H3
InChIKey
VZXZRWMCGPZELL-UHFFFAOYSA-N
Compound name
[4-(2-methoxyphenyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

7
Patents

386.18417 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.19145 193.2
[M+Na]+ 409.17339 206.5
[M+NH4]+ 404.21799 198.7
[M+K]+ 425.14733 200.2
[M-H]- 385.17689 197.1
[M+Na-2H]- 407.15884 199.8
[M]+ 386.18362 196.1
[M]- 386.18472 196.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe