CID 2871916

Redd1 inducer

Structural Information

Molecular Formula
C23H26N2O4
SMILES
C1CCN(CC1)C2=C3C=CC=C4C3=C(C=C2)C(=O)N(C4=O)CCCCCC(=O)O
InChI
InChI=1S/C23H26N2O4/c26-20(27)10-3-1-6-15-25-22(28)17-9-7-8-16-19(24-13-4-2-5-14-24)12-11-18(21(16)17)23(25)29/h7-9,11-12H,1-6,10,13-15H2,(H,26,27)
InChIKey
MBIOYMJZOCQPAE-UHFFFAOYSA-N
Compound name
6-(1,3-dioxo-6-piperidin-1-ylbenzo[de]isoquinolin-2-yl)hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

394.18927 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.19655 195.9
[M+Na]+ 417.17849 207.9
[M+NH4]+ 412.22309 202.0
[M+K]+ 433.15243 200.4
[M-H]- 393.18199 197.8
[M+Na-2H]- 415.16394 198.0
[M]+ 394.18872 197.9
[M]- 394.18982 197.9
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