CID 508429

Schembl6283885

Structural Information

Molecular Formula
C18H17NO2
SMILES
CC(C)CN1C2=C(C=CC=C2C(=O)C1=O)C3=CC=CC=C3
InChI
InChI=1S/C18H17NO2/c1-12(2)11-19-16-14(13-7-4-3-5-8-13)9-6-10-15(16)17(20)18(19)21/h3-10,12H,11H2,1-2H3
InChIKey
FXAMFTNJEXSPKQ-UHFFFAOYSA-N
Compound name
1-(2-methylpropyl)-7-phenylindole-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

279.12592 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.133196 164.9
[M+Na]+ 302.115138 173.9
[M-H]- 278.118644 171.7
[M+NH4]+ 297.159743 182.7
[M+K]+ 318.089078 169.0
[M+H-H2O]+ 262.123180 157.3
[M+HCOO]- 324.124121 185.6
[M+CH3COO]- 338.139771 202.4
[M+Na-2H]- 300.100586 166.2
[M]+ 279.12537142 166.4
[M]- 279.12646858 166.4
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