CID 3038417

38160-27-9

Structural Information

Molecular Formula
C18H25N3O3
SMILES
CCOC1=CC=C(C=C1)N2[C@@H]([C@@H](CC2=O)C(=O)N3CCNCC3)C
InChI
InChI=1S/C18H25N3O3/c1-3-24-15-6-4-14(5-7-15)21-13(2)16(12-17(21)22)18(23)20-10-8-19-9-11-20/h4-7,13,16,19H,3,8-12H2,1-2H3/t13-,16-/m1/s1
InChIKey
LWRJUJPPBNDVKL-CZUORRHYSA-N
Compound name
(4R,5R)-1-(4-ethoxyphenyl)-5-methyl-4-(piperazine-1-carbonyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.1896 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.196876 181.6
[M+Na]+ 354.178818 185.7
[M-H]- 330.182324 185.0
[M+NH4]+ 349.223423 191.9
[M+K]+ 370.152758 181.2
[M+H-H2O]+ 314.186860 171.4
[M+HCOO]- 376.187801 193.9
[M+CH3COO]- 390.203451 206.8
[M+Na-2H]- 352.164266 177.7
[M]+ 331.18905142 176.5
[M]- 331.19014858 176.5
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.