CID 3077933

Brn 4754830

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

3
Patents

263.11575 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.12303 158.4
[M+Na]+ 286.10497 165.6
[M-H]- 262.10847 163.8
[M+NH4]+ 281.14957 175.5
[M+K]+ 302.07891 163.8
[M+H-H2O]+ 246.11301 151.0
[M+HCOO]- 308.11395 179.6
[M+CH3COO]- 322.12960 195.5
[M+Na-2H]- 284.09042 158.9
[M]+ 263.11520 160.7
[M]- 263.11630 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