CID 508430

Schembl6279195

Structural Information

Molecular Formula
C20H21NO2
SMILES
CCCCCCN1C2=C(C=CC=C2C(=O)C1=O)C3=CC=CC=C3
InChI
InChI=1S/C20H21NO2/c1-2-3-4-8-14-21-18-16(15-10-6-5-7-11-15)12-9-13-17(18)19(22)20(21)23/h5-7,9-13H,2-4,8,14H2,1H3
InChIKey
MNSNZIGPMZSRLW-UHFFFAOYSA-N
Compound name
1-hexyl-7-phenylindole-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

307.15723 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.16451 174.3
[M+Na]+ 330.14645 182.7
[M-H]- 306.14995 180.6
[M+NH4]+ 325.19105 190.9
[M+K]+ 346.12039 176.8
[M+H-H2O]+ 290.15449 166.0
[M+HCOO]- 352.15543 195.2
[M+CH3COO]- 366.17108 207.5
[M+Na-2H]- 328.13190 175.6
[M]+ 307.15668 177.0
[M]- 307.15778 177.0
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

patents stripe