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 186.3
[M+Na]+ 374.17266 191.3
[M-H]- 350.17616 194.0
[M+NH4]+ 369.21726 199.2
[M+K]+ 390.14660 186.5
[M+H-H2O]+ 334.18070 176.6
[M+HCOO]- 396.18164 205.9
[M+CH3COO]- 410.19729 213.1
[M+Na-2H]- 372.15811 184.5
[M]+ 351.18289 187.2
[M]- 351.18399 187.2
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