CID 24843674

97181-17-4

Structural Information

Molecular Formula
C23H33N3O5
SMILES
COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)NC2CCN(CC2)CC(=O)N3CCCC3
InChI
InChI=1S/C23H33N3O5/c1-29-19-14-17(15-20(30-2)23(19)31-3)6-7-21(27)24-18-8-12-25(13-9-18)16-22(28)26-10-4-5-11-26/h6-7,14-15,18H,4-5,8-13,16H2,1-3H3,(H,24,27)/b7-6+
InChIKey
DFZFZNKWJVQXSW-VOTSOKGWSA-N
Compound name
(E)-N-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

431.24203 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.24931 205.1
[M+Na]+ 454.23125 206.1
[M-H]- 430.23475 210.5
[M+NH4]+ 449.27585 212.7
[M+K]+ 470.20519 203.1
[M+H-H2O]+ 414.23929 194.4
[M+HCOO]- 476.24023 219.2
[M+CH3COO]- 490.25588 229.5
[M+Na-2H]- 452.21670 199.5
[M]+ 431.24148 203.8
[M]- 431.24258 203.8
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.