CID 28758

17766-70-0

Structural Information

Molecular Formula
C21H26N2O5
SMILES
COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C21H26N2O5/c1-25-17-7-5-16(6-8-17)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
IYHLPFHSSALZLY-UHFFFAOYSA-N
Compound name
[4-(4-methoxyphenyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 192.9
[M+Na]+ 409.17339 198.4
[M-H]- 385.17689 199.4
[M+NH4]+ 404.21799 201.3
[M+K]+ 425.14733 195.8
[M+H-H2O]+ 369.18143 181.4
[M+HCOO]- 431.18237 209.1
[M+CH3COO]- 445.19802 221.0
[M+Na-2H]- 407.15884 192.2
[M]+ 386.18362 195.9
[M]- 386.18472 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.