CID 3071503

137427-76-0

Structural Information

Molecular Formula
C18H25NO2
SMILES
CCCC(CCC)C(=O)N1CC(CC1=O)C2=CC=CC=C2
InChI
InChI=1S/C18H25NO2/c1-3-8-15(9-4-2)18(21)19-13-16(12-17(19)20)14-10-6-5-7-11-14/h5-7,10-11,15-16H,3-4,8-9,12-13H2,1-2H3
InChIKey
XJCMFNRCIUXOBH-UHFFFAOYSA-N
Compound name
4-phenyl-1-(2-propylpentanoyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

287.18854 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.19582 171.8
[M+Na]+ 310.17776 176.4
[M-H]- 286.18126 176.2
[M+NH4]+ 305.22236 187.7
[M+K]+ 326.15170 172.9
[M+H-H2O]+ 270.18580 163.8
[M+HCOO]- 332.18674 190.2
[M+CH3COO]- 346.20239 202.9
[M+Na-2H]- 308.16321 169.4
[M]+ 287.18799 171.6
[M]- 287.18909 171.6
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