CID 217114

38124-02-6

Structural Information

Molecular Formula
C20H29N3O3
SMILES
CCC[C@@H]1[C@@H](CC(=O)N1C2=CC=C(C=C2)OCC)C(=O)N3CCNCC3
InChI
InChI=1S/C20H29N3O3/c1-3-5-18-17(20(25)22-12-10-21-11-13-22)14-19(24)23(18)15-6-8-16(9-7-15)26-4-2/h6-9,17-18,21H,3-5,10-14H2,1-2H3/t17-,18-/m1/s1
InChIKey
GOTHINPUILBLAM-QZTJIDSGSA-N
Compound name
(4R,5R)-1-(4-ethoxyphenyl)-4-(piperazine-1-carbonyl)-5-propylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.2209 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.22818 190.2
[M+Na]+ 382.21012 193.3
[M-H]- 358.21362 193.2
[M+NH4]+ 377.25472 199.3
[M+K]+ 398.18406 188.4
[M+H-H2O]+ 342.21816 179.5
[M+HCOO]- 404.21910 201.8
[M+CH3COO]- 418.23475 212.7
[M+Na-2H]- 380.19557 185.2
[M]+ 359.22035 185.7
[M]- 359.22145 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

No patent data available for this compound.