CID 3077942

Brn 4763186

Structural Information

Molecular Formula
C21H23NO3
SMILES
CCCCOC1CCC(=O)N1C(=O)C2=CC=C(C=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H23NO3/c1-2-3-15-25-20-14-13-19(23)22(20)21(24)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-12,20H,2-3,13-15H2,1H3
InChIKey
QWGLBMSMXBKKEE-UHFFFAOYSA-N
Compound name
5-butoxy-1-(4-phenylbenzoyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.1678 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.17508 181.8
[M+Na]+ 360.15702 187.3
[M-H]- 336.16052 189.7
[M+NH4]+ 355.20162 195.3
[M+K]+ 376.13096 182.6
[M+H-H2O]+ 320.16506 172.3
[M+HCOO]- 382.16600 201.7
[M+CH3COO]- 396.18165 210.1
[M+Na-2H]- 358.14247 180.5
[M]+ 337.16725 182.3
[M]- 337.16835 182.3
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

No patent data available for this compound.