CID 597131

1-cyclohexyl-n-(4-iodophenyl)-5-oxopyrrolidine-3-carboxamide

Structural Information

Molecular Formula
C17H21IN2O2
SMILES
C1CCC(CC1)N2CC(CC2=O)C(=O)NC3=CC=C(C=C3)I
InChI
InChI=1S/C17H21IN2O2/c18-13-6-8-14(9-7-13)19-17(22)12-10-16(21)20(11-12)15-4-2-1-3-5-15/h6-9,12,15H,1-5,10-11H2,(H,19,22)
InChIKey
BRLWNQDQODRALI-UHFFFAOYSA-N
Compound name
1-cyclohexyl-N-(4-iodophenyl)-5-oxopyrrolidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

412.0648 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.07208 178.5
[M+Na]+ 435.05402 174.7
[M-H]- 411.05752 178.1
[M+NH4]+ 430.09862 187.9
[M+K]+ 451.02796 176.5
[M+H-H2O]+ 395.06206 165.9
[M+HCOO]- 457.06300 191.1
[M+CH3COO]- 471.07865 212.2
[M+Na-2H]- 433.03947 165.2
[M]+ 412.06425 169.0
[M]- 412.06535 169.0
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.