CID 3077955

2-pyrrolidinone, 1-benzoyl-5-(heptyloxy)-, (+-)-

Structural Information

Molecular Formula
C18H25NO3
SMILES
CCCCCCCOC1CCC(=O)N1C(=O)C2=CC=CC=C2
InChI
InChI=1S/C18H25NO3/c1-2-3-4-5-9-14-22-17-13-12-16(20)19(17)18(21)15-10-7-6-8-11-15/h6-8,10-11,17H,2-5,9,12-14H2,1H3
InChIKey
GLWPMHBOGXUFSF-UHFFFAOYSA-N
Compound name
1-benzoyl-5-heptoxypyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

303.18344 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.19072 174.6
[M+Na]+ 326.17266 179.3
[M-H]- 302.17616 178.9
[M+NH4]+ 321.21726 189.8
[M+K]+ 342.14660 175.9
[M+H-H2O]+ 286.18070 166.3
[M+HCOO]- 348.18164 194.3
[M+CH3COO]- 362.19729 204.1
[M+Na-2H]- 324.15811 173.5
[M]+ 303.18289 176.5
[M]- 303.18399 176.5
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