CID 24845355

97181-42-5

Structural Information

Molecular Formula
C21H26N2O4
SMILES
C1CCN(C1)C(=O)CN2CCC(CC2)C(=O)/C=C/C3=CC4=C(C=C3)OCO4
InChI
InChI=1S/C21H26N2O4/c24-18(5-3-16-4-6-19-20(13-16)27-15-26-19)17-7-11-22(12-8-17)14-21(25)23-9-1-2-10-23/h3-6,13,17H,1-2,7-12,14-15H2/b5-3+
InChIKey
FUAPEHQTUXZULS-HWKANZROSA-N
Compound name
(E)-3-(1,3-benzodioxol-5-yl)-1-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

370.18927 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.19655 189.3
[M+Na]+ 393.17849 197.7
[M+NH4]+ 388.22309 195.0
[M+K]+ 409.15243 196.6
[M-H]- 369.18199 194.0
[M+Na-2H]- 391.16394 190.5
[M]+ 370.18872 191.3
[M]- 370.18982 191.3
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

patents stripe