CID 49767358

2-(1-acetylindolin-2-yl)naphthalene-1,4-dione

Structural Information

Molecular Formula
C20H15NO3
SMILES
CC(=O)N1C(CC2=CC=CC=C21)C3=CC(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C20H15NO3/c1-12(22)21-17-9-5-2-6-13(17)10-18(21)16-11-19(23)14-7-3-4-8-15(14)20(16)24/h2-9,11,18H,10H2,1H3
InChIKey
ZHYPCUOWANIPHI-UHFFFAOYSA-N
Compound name
2-(1-acetyl-2,3-dihydroindol-2-yl)naphthalene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.1052 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.11248 173.3
[M+Na]+ 340.09442 182.6
[M-H]- 316.09792 181.0
[M+NH4]+ 335.13902 190.2
[M+K]+ 356.06836 176.9
[M+H-H2O]+ 300.10246 165.2
[M+HCOO]- 362.10340 191.7
[M+CH3COO]- 376.11905 184.9
[M+Na-2H]- 338.07987 174.7
[M]+ 317.10465 173.7
[M]- 317.10575 173.7
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.