CID 280319

Nsc131906

Structural Information

Molecular Formula
C21H14BrNO4
SMILES
CC(=O)N1C2=C(C=CC(=C2)Br)C(C1=O)(C)C3=CC(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C21H14BrNO4/c1-11(24)23-17-9-12(22)7-8-15(17)21(2,20(23)27)16-10-18(25)13-5-3-4-6-14(13)19(16)26/h3-10H,1-2H3
InChIKey
XWNSLKIZHVOAIW-UHFFFAOYSA-N
Compound name
2-(1-acetyl-6-bromo-3-methyl-2-oxoindol-3-yl)naphthalene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.01062 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.01790 189.6
[M+Na]+ 445.99984 203.2
[M-H]- 422.00334 200.1
[M+NH4]+ 441.04444 208.2
[M+K]+ 461.97378 191.1
[M+H-H2O]+ 406.00788 188.7
[M+HCOO]- 468.00882 205.6
[M+CH3COO]- 482.02447 222.7
[M+Na-2H]- 443.98529 191.4
[M]+ 423.01007 210.6
[M]- 423.01117 210.6
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.