CID 3077947

Brn 4764515

Structural Information

Molecular Formula
C22H25NO3
SMILES
CCCCCOC1CCC(=O)N1C(=O)C2=CC=C(C=C2)C3=CC=CC=C3
InChI
InChI=1S/C22H25NO3/c1-2-3-7-16-26-21-15-14-20(24)23(21)22(25)19-12-10-18(11-13-19)17-8-5-4-6-9-17/h4-6,8-13,21H,2-3,7,14-16H2,1H3
InChIKey
ARUVDDXNSZHSQK-UHFFFAOYSA-N
Compound name
5-pentoxy-1-(4-phenylbenzoyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

351.18344 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.19072 187.3
[M+Na]+ 374.17266 199.9
[M+NH4]+ 369.21726 194.2
[M+K]+ 390.14660 193.6
[M-H]- 350.17616 191.8
[M+Na-2H]- 372.15811 194.3
[M]+ 351.18289 190.2
[M]- 351.18399 190.2
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