CID 3077945

Brn 4758970

Structural Information

Molecular Formula
C17H23NO4
SMILES
CCCCCOC1CCC(=O)N1C(=O)C2=CC=C(C=C2)OC
InChI
InChI=1S/C17H23NO4/c1-3-4-5-12-22-16-11-10-15(19)18(16)17(20)13-6-8-14(21-2)9-7-13/h6-9,16H,3-5,10-12H2,1-2H3
InChIKey
LQARFPFBWXUUDW-UHFFFAOYSA-N
Compound name
1-(4-methoxybenzoyl)-5-pentoxypyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

305.16272 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.17000 172.2
[M+Na]+ 328.15194 178.1
[M-H]- 304.15544 177.1
[M+NH4]+ 323.19654 187.6
[M+K]+ 344.12588 175.6
[M+H-H2O]+ 288.15998 164.2
[M+HCOO]- 350.16092 192.4
[M+CH3COO]- 364.17657 204.4
[M+Na-2H]- 326.13739 171.1
[M]+ 305.16217 175.6
[M]- 305.16327 175.6
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