CID 3077941

5-butoxy-1-(4-nitrobenzoyl)pyrrolidin-2-one

Structural Information

Molecular Formula
C15H18N2O5
SMILES
CCCCOC1CCC(=O)N1C(=O)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C15H18N2O5/c1-2-3-10-22-14-9-8-13(18)16(14)15(19)11-4-6-12(7-5-11)17(20)21/h4-7,14H,2-3,8-10H2,1H3
InChIKey
AOXAHNRBOUJRAB-UHFFFAOYSA-N
Compound name
5-butoxy-1-(4-nitrobenzoyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

306.12158 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.12886 169.2
[M+Na]+ 329.11080 179.6
[M+NH4]+ 324.15540 174.7
[M+K]+ 345.08474 179.1
[M-H]- 305.11430 171.4
[M+Na-2H]- 327.09625 172.7
[M]+ 306.12103 170.8
[M]- 306.12213 170.8
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