CID 6445118

22662-32-4

Structural Information

Molecular Formula
C21H25N3O4
SMILES
COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCN(CC2)C3=CC=CC=N3
InChI
InChI=1S/C21H25N3O4/c1-26-17-14-16(15-18(27-2)21(17)28-3)7-8-20(25)24-12-10-23(11-13-24)19-6-4-5-9-22-19/h4-9,14-15H,10-13H2,1-3H3/b8-7+
InChIKey
CNUQZRKZVDZZNO-BQYQJAHWSA-N
Compound name
(E)-1-(4-pyridin-2-ylpiperazin-1-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

383.1845 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.191776 194.1
[M+Na]+ 406.173718 199.2
[M-H]- 382.177224 198.8
[M+NH4]+ 401.218323 200.9
[M+K]+ 422.147658 194.8
[M+H-H2O]+ 366.181760 181.7
[M+HCOO]- 428.182701 208.9
[M+CH3COO]- 442.198351 219.0
[M+Na-2H]- 404.159166 193.9
[M]+ 383.18395142 194.9
[M]- 383.18504858 194.9
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

No patent data available for this compound.