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]+ 332.19688 181.6
[M+Na]+ 354.17882 185.7
[M-H]- 330.18232 185.0
[M+NH4]+ 349.22342 191.9
[M+K]+ 370.15276 181.2
[M+H-H2O]+ 314.18686 171.4
[M+HCOO]- 376.18780 193.9
[M+CH3COO]- 390.20345 206.8
[M+Na-2H]- 352.16427 177.7
[M]+ 331.18905 176.5
[M]- 331.19015 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.