CID 24842535

97167-31-2

Structural Information

Molecular Formula
C22H29N3O4
SMILES
CC(C(=O)N1CCCC1)NC2CCN(CC2)C(=O)/C=C/C3=CC4=C(C=C3)OCO4
InChI
InChI=1S/C22H29N3O4/c1-16(22(27)25-10-2-3-11-25)23-18-8-12-24(13-9-18)21(26)7-5-17-4-6-19-20(14-17)29-15-28-19/h4-7,14,16,18,23H,2-3,8-13,15H2,1H3/b7-5+
InChIKey
LLVOAGNPBDYSHM-FNORWQNLSA-N
Compound name
2-[[1-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]piperidin-4-yl]amino]-1-pyrrolidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.21582 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.22310 196.7
[M+Na]+ 422.20504 203.2
[M+NH4]+ 417.24964 201.6
[M+K]+ 438.17898 203.2
[M-H]- 398.20854 201.5
[M+Na-2H]- 420.19049 197.2
[M]+ 399.21527 198.4
[M]- 399.21637 198.4
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.