CID 11350371

Schembl7241033

Structural Information

Molecular Formula
C20H31N3O6
SMILES
CCN(CC)C(=O)OCC1CNCCN1C(=O)C2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C20H31N3O6/c1-6-22(7-2)20(25)29-13-15-12-21-8-9-23(15)19(24)14-10-16(26-3)18(28-5)17(11-14)27-4/h10-11,15,21H,6-9,12-13H2,1-5H3
InChIKey
OTTZQJBWWGHCEO-UHFFFAOYSA-N
Compound name
[1-(3,4,5-trimethoxybenzoyl)piperazin-2-yl]methyl N,N-diethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

409.22128 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.22856 197.8
[M+Na]+ 432.21050 200.5
[M-H]- 408.21400 200.7
[M+NH4]+ 427.25510 205.1
[M+K]+ 448.18444 200.0
[M+H-H2O]+ 392.21854 187.5
[M+HCOO]- 454.21948 212.7
[M+CH3COO]- 468.23513 228.0
[M+Na-2H]- 430.19595 194.7
[M]+ 409.22073 201.7
[M]- 409.22183 201.7
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