CID 2986800

1-cyclohexyl-n-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide

Structural Information

Molecular Formula
C19H24N2O4
SMILES
C1CCC(CC1)N2CC(CC2=O)C(=O)NC3=CC4=C(C=C3)OCCO4
InChI
InChI=1S/C19H24N2O4/c22-18-10-13(12-21(18)15-4-2-1-3-5-15)19(23)20-14-6-7-16-17(11-14)25-9-8-24-16/h6-7,11,13,15H,1-5,8-10,12H2,(H,20,23)
InChIKey
CUQPHLHZDFJXCO-UHFFFAOYSA-N
Compound name
1-cyclohexyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

344.1736 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.18088 180.5
[M+Na]+ 367.16282 182.4
[M-H]- 343.16632 189.1
[M+NH4]+ 362.20742 191.0
[M+K]+ 383.13676 180.9
[M+H-H2O]+ 327.17086 171.4
[M+HCOO]- 389.17180 192.8
[M+CH3COO]- 403.18745 188.8
[M+Na-2H]- 365.14827 180.1
[M]+ 344.17305 174.1
[M]- 344.17415 174.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.