CID 3077955

136410-24-7

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

3
Patents

303.18344 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.190716 174.6
[M+Na]+ 326.172658 179.3
[M-H]- 302.176164 178.9
[M+NH4]+ 321.217263 189.8
[M+K]+ 342.146598 175.9
[M+H-H2O]+ 286.180700 166.3
[M+HCOO]- 348.181641 194.3
[M+CH3COO]- 362.197291 204.1
[M+Na-2H]- 324.158106 173.5
[M]+ 303.18289142 176.5
[M]- 303.18398858 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