CID 64885

Brn 0902792

Structural Information

Molecular Formula
C20H31N3O5
SMILES
CC(C)NC(=O)CN1CCN(CC1)C(=O)CCC2=CC(=C(C(=C2)OC)O)OC
InChI
InChI=1S/C20H31N3O5/c1-14(2)21-18(24)13-22-7-9-23(10-8-22)19(25)6-5-15-11-16(27-3)20(26)17(12-15)28-4/h11-12,14,26H,5-10,13H2,1-4H3,(H,21,24)
InChIKey
KANNMOFCMLHVAU-UHFFFAOYSA-N
Compound name
2-[4-[3-(4-hydroxy-3,5-dimethoxyphenyl)propanoyl]piperazin-1-yl]-N-propan-2-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.22638 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.23366 195.8
[M+Na]+ 416.21560 198.3
[M-H]- 392.21910 197.3
[M+NH4]+ 411.26020 203.1
[M+K]+ 432.18954 196.2
[M+H-H2O]+ 376.22364 186.0
[M+HCOO]- 438.22458 209.1
[M+CH3COO]- 452.24023 224.2
[M+Na-2H]- 414.20105 192.1
[M]+ 393.22583 196.6
[M]- 393.22693 196.6
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.