CID 508422

Schembl6286098

Structural Information

Molecular Formula
C23H27NO2
SMILES
CCCCCCCCCN1C2=C(C=CC=C2C(=O)C1=O)C3=CC=CC=C3
InChI
InChI=1S/C23H27NO2/c1-2-3-4-5-6-7-11-17-24-21-19(18-13-9-8-10-14-18)15-12-16-20(21)22(25)23(24)26/h8-10,12-16H,2-7,11,17H2,1H3
InChIKey
AEQJGHYAIWZFJM-UHFFFAOYSA-N
Compound name
1-nonyl-7-phenylindole-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

349.2042 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.21148 188.2
[M+Na]+ 372.19342 195.1
[M-H]- 348.19692 193.7
[M+NH4]+ 367.23802 203.0
[M+K]+ 388.16736 188.5
[M+H-H2O]+ 332.20146 179.2
[M+HCOO]- 394.20240 208.0
[M+CH3COO]- 408.21805 216.4
[M+Na-2H]- 370.17887 187.7
[M]+ 349.20365 191.8
[M]- 349.20475 191.8
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.