CID 508415

Schembl4503347

Structural Information

Molecular Formula
C28H36N2O2
SMILES
CCN(CCCCCN1C2=C(C=C(C=C2)C3CCCCC3)C(=O)C1=O)CC4=CC=CC=C4
InChI
InChI=1S/C28H36N2O2/c1-2-29(21-22-12-6-3-7-13-22)18-10-5-11-19-30-26-17-16-24(23-14-8-4-9-15-23)20-25(26)27(31)28(30)32/h3,6-7,12-13,16-17,20,23H,2,4-5,8-11,14-15,18-19,21H2,1H3
InChIKey
RLCCRJVHOVASFS-UHFFFAOYSA-N
Compound name
1-[5-[benzyl(ethyl)amino]pentyl]-5-cyclohexylindole-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

432.27768 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.28496 210.8
[M+Na]+ 455.26690 212.6
[M-H]- 431.27040 219.1
[M+NH4]+ 450.31150 221.3
[M+K]+ 471.24084 206.4
[M+H-H2O]+ 415.27494 199.4
[M+HCOO]- 477.27588 227.1
[M+CH3COO]- 491.29153 236.4
[M+Na-2H]- 453.25235 206.8
[M]+ 432.27713 209.5
[M]- 432.27823 209.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.