CID 6446326

57061-76-4

Structural Information

Molecular Formula
C21H29N3O6
SMILES
COC1=CC(=CC(=C1O)OC)/C=C/C(=O)N2CCN(CC2)CC(=O)N3CCOCC3
InChI
InChI=1S/C21H29N3O6/c1-28-17-13-16(14-18(29-2)21(17)27)3-4-19(25)23-7-5-22(6-8-23)15-20(26)24-9-11-30-12-10-24/h3-4,13-14,27H,5-12,15H2,1-2H3/b4-3+
InChIKey
ONKZEAIJCYRMKX-ONEGZZNKSA-N
Compound name
(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.20563 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.21291 201.9
[M+Na]+ 442.19485 203.5
[M-H]- 418.19835 205.0
[M+NH4]+ 437.23945 204.8
[M+K]+ 458.16879 201.3
[M+H-H2O]+ 402.20289 190.1
[M+HCOO]- 464.20383 209.7
[M+CH3COO]- 478.21948 222.5
[M+Na-2H]- 440.18030 198.3
[M]+ 419.20508 199.0
[M]- 419.20618 199.0
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.