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

9
Patents

279.12592 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.13320 164.9
[M+Na]+ 302.11514 173.9
[M-H]- 278.11864 171.7
[M+NH4]+ 297.15974 182.7
[M+K]+ 318.08908 169.0
[M+H-H2O]+ 262.12318 157.3
[M+HCOO]- 324.12412 185.6
[M+CH3COO]- 338.13977 202.4
[M+Na-2H]- 300.10059 166.2
[M]+ 279.12537 166.4
[M]- 279.12647 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