CID 64901

58493-19-9

Structural Information

Molecular Formula
C19H29N3O5
SMILES
CN(C)C(=O)CN1CCN(CC1)C(=O)CCC2=CC(=C(C(=C2)OC)O)OC
InChI
InChI=1S/C19H29N3O5/c1-20(2)18(24)13-21-7-9-22(10-8-21)17(23)6-5-14-11-15(26-3)19(25)16(12-14)27-4/h11-12,25H,5-10,13H2,1-4H3
InChIKey
OROQOPJJLPNQPG-UHFFFAOYSA-N
Compound name
2-[4-[3-(4-hydroxy-3,5-dimethoxyphenyl)propanoyl]piperazin-1-yl]-N,N-dimethylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.21072 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.21800 190.7
[M+Na]+ 402.19994 199.1
[M+NH4]+ 397.24454 194.2
[M+K]+ 418.17388 195.7
[M-H]- 378.20344 191.1
[M+Na-2H]- 400.18539 192.9
[M]+ 379.21017 191.5
[M]- 379.21127 191.5
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.