CID 2815929

N-cyclohexyl-2-(2-furylmethyl)-3-oxo-1-isoindolinecarboxamide

Structural Information

Molecular Formula
C20H22N2O3
SMILES
C1CCC(CC1)NC(=O)C2C3=CC=CC=C3C(=O)N2CC4=CC=CO4
InChI
InChI=1S/C20H22N2O3/c23-19(21-14-7-2-1-3-8-14)18-16-10-4-5-11-17(16)20(24)22(18)13-15-9-6-12-25-15/h4-6,9-12,14,18H,1-3,7-8,13H2,(H,21,23)
InChIKey
NQNVRURXKGZYLJ-UHFFFAOYSA-N
Compound name
N-cyclohexyl-2-(furan-2-ylmethyl)-3-oxo-1H-isoindole-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

6
Patents

338.16306 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.170336 179.4
[M+Na]+ 361.152278 183.6
[M-H]- 337.155784 188.7
[M+NH4]+ 356.196883 193.7
[M+K]+ 377.126218 180.2
[M+H-H2O]+ 321.160320 171.2
[M+HCOO]- 383.161261 197.4
[M+CH3COO]- 397.176911 189.3
[M+Na-2H]- 359.137726 178.1
[M]+ 338.16251142 176.5
[M]- 338.16360858 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

literature stripe

Patent stripe

patents stripe