CID 9844338

Cdc801

Structural Information

Molecular Formula
C23H24N2O5
SMILES
COC1=C(C=C(C=C1)C(CC(=O)N)N2C(=O)C3=CC=CC=C3C2=O)OC4CCCC4
InChI
InChI=1S/C23H24N2O5/c1-29-19-11-10-14(12-20(19)30-15-6-2-3-7-15)18(13-21(24)26)25-22(27)16-8-4-5-9-17(16)23(25)28/h4-5,8-12,15,18H,2-3,6-7,13H2,1H3,(H2,24,26)
InChIKey
DDYUBCCTNHWSQM-UHFFFAOYSA-N
Compound name
3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

2117
Patents

408.16852 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.17580 196.1
[M+Na]+ 431.15774 200.7
[M-H]- 407.16124 205.1
[M+NH4]+ 426.20234 208.7
[M+K]+ 447.13168 197.1
[M+H-H2O]+ 391.16578 187.8
[M+HCOO]- 453.16672 214.2
[M+CH3COO]- 467.18237 226.6
[M+Na-2H]- 429.14319 191.0
[M]+ 408.16797 196.4
[M]- 408.16907 196.4
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