CID 356486

Nsc612424

Structural Information

Molecular Formula
C17H15NO5
SMILES
CN1C2=CC=CC=C2C(C1=O)C3=C(C(=O)C=C(C3=O)OC)OC
InChI
InChI=1S/C17H15NO5/c1-18-10-7-5-4-6-9(10)13(17(18)21)14-15(20)12(22-2)8-11(19)16(14)23-3/h4-8,13H,1-3H3
InChIKey
BYQSEGXVNMKSAA-UHFFFAOYSA-N
Compound name
2,5-dimethoxy-3-(1-methyl-2-oxo-3H-indol-3-yl)cyclohexa-2,5-diene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.09503 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.10231 167.8
[M+Na]+ 336.08425 178.9
[M-H]- 312.08775 175.5
[M+NH4]+ 331.12885 184.6
[M+K]+ 352.05819 175.5
[M+H-H2O]+ 296.09229 160.7
[M+HCOO]- 358.09323 188.9
[M+CH3COO]- 372.10888 208.5
[M+Na-2H]- 334.06970 168.4
[M]+ 313.09448 173.0
[M]- 313.09558 173.0
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.