CID 3071683

Brn 5462349

Structural Information

Molecular Formula
C29H27N3O3
SMILES
CC1=C(N(C2=CC=CC=C12)C3=CC=CC=C3)NC(=O)CCCCCN4C(=O)C5=CC=CC=C5C4=O
InChI
InChI=1S/C29H27N3O3/c1-20-22-14-9-10-17-25(22)32(21-12-4-2-5-13-21)27(20)30-26(33)18-6-3-11-19-31-28(34)23-15-7-8-16-24(23)29(31)35/h2,4-5,7-10,12-17H,3,6,11,18-19H2,1H3,(H,30,33)
InChIKey
TVHRLJLPYAJKPK-UHFFFAOYSA-N
Compound name
6-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-1-phenylindol-2-yl)hexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

465.20523 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.21251 216.0
[M+Na]+ 488.19445 223.6
[M-H]- 464.19795 225.7
[M+NH4]+ 483.23905 226.5
[M+K]+ 504.16839 215.9
[M+H-H2O]+ 448.20249 205.5
[M+HCOO]- 510.20343 235.6
[M+CH3COO]- 524.21908 224.5
[M+Na-2H]- 486.17990 213.6
[M]+ 465.20468 220.5
[M]- 465.20578 220.5
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.