CID 3071504

137427-77-1

Structural Information

Molecular Formula
C18H24ClNO2
SMILES
CCCC(CCC)C(=O)N1CC(CC1=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C18H24ClNO2/c1-3-5-14(6-4-2)18(22)20-12-15(11-17(20)21)13-7-9-16(19)10-8-13/h7-10,14-15H,3-6,11-12H2,1-2H3
InChIKey
WQICSWQEEGQPNO-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)-1-(2-propylpentanoyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

321.14957 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.15685 177.0
[M+Na]+ 344.13879 188.4
[M+NH4]+ 339.18339 184.0
[M+K]+ 360.11273 182.9
[M-H]- 320.14229 179.0
[M+Na-2H]- 342.12424 181.1
[M]+ 321.14902 179.2
[M]- 321.15012 179.2
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