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]+ 371.196546 190.0
[M+Na]+ 393.178488 191.7
[M-H]- 369.181994 197.2
[M+NH4]+ 388.223093 199.9
[M+K]+ 409.152428 189.8
[M+H-H2O]+ 353.186530 181.3
[M+HCOO]- 415.187471 200.7
[M+CH3COO]- 429.203121 197.5
[M+Na-2H]- 391.163936 185.2
[M]+ 370.18872142 185.7
[M]- 370.18981858 185.7
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