CID 280323

2-(1h-indol-3-ylmethylene)-indan-1,3-dione

Structural Information

Molecular Formula
C18H11NO2
SMILES
C1=CC=C2C(=C1)C(=O)C(=CC3=CNC4=CC=CC=C43)C2=O
InChI
InChI=1S/C18H11NO2/c20-17-13-6-1-2-7-14(13)18(21)15(17)9-11-10-19-16-8-4-3-5-12(11)16/h1-10,19H
InChIKey
XKPKACXWCATSFM-UHFFFAOYSA-N
Compound name
2-(1H-indol-3-ylmethylidene)indene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

273.07898 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.08626 161.5
[M+Na]+ 296.06820 173.0
[M-H]- 272.07170 168.9
[M+NH4]+ 291.11280 181.7
[M+K]+ 312.04214 165.6
[M+H-H2O]+ 256.07624 155.0
[M+HCOO]- 318.07718 183.9
[M+CH3COO]- 332.09283 174.6
[M+Na-2H]- 294.05365 164.3
[M]+ 273.07843 162.2
[M]- 273.07953 162.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.