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 190.5
[M+Na]+ 382.21012 200.0
[M+NH4]+ 377.25472 195.4
[M+K]+ 398.18406 196.0
[M-H]- 358.21362 192.3
[M+Na-2H]- 380.19557 193.6
[M]+ 359.22035 191.9
[M]- 359.22145 191.9
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.