CID 3077933

5-ethoxy-1-(4-methoxybenzoyl)pyrrolidin-2-one

Structural Information

Molecular Formula
C14H17NO4
SMILES
CCOC1CCC(=O)N1C(=O)C2=CC=C(C=C2)OC
InChI
InChI=1S/C14H17NO4/c1-3-19-13-9-8-12(16)15(13)14(17)10-4-6-11(18-2)7-5-10/h4-7,13H,3,8-9H2,1-2H3
InChIKey
OWLACAQTBLGHGK-UHFFFAOYSA-N
Compound name
5-ethoxy-1-(4-methoxybenzoyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

263.11575 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.123026 158.4
[M+Na]+ 286.104968 165.6
[M-H]- 262.108474 163.8
[M+NH4]+ 281.149573 175.5
[M+K]+ 302.078908 163.8
[M+H-H2O]+ 246.113010 151.0
[M+HCOO]- 308.113951 179.6
[M+CH3COO]- 322.129601 195.5
[M+Na-2H]- 284.090416 158.9
[M]+ 263.11520142 160.7
[M]- 263.11629858 160.7
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

patents stripe