CID 371563

Nsc645892

Structural Information

Molecular Formula
C17H10N2O3
SMILES
CC1=NC2=C(C=CC3=C2C(=O)C4=CC=CC=C4C3=O)NC1=O
InChI
InChI=1S/C17H10N2O3/c1-8-17(22)19-12-7-6-11-13(14(12)18-8)16(21)10-5-3-2-4-9(10)15(11)20/h2-7H,1H3,(H,19,22)
InChIKey
CHJRTDIKLLMQPI-UHFFFAOYSA-N
Compound name
2-methyl-4H-naphtho[3,2-f]quinoxaline-3,7,12-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.06915 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.07643 164.4
[M+Na]+ 313.05837 176.7
[M-H]- 289.06187 167.6
[M+NH4]+ 308.10297 179.9
[M+K]+ 329.03231 169.8
[M+H-H2O]+ 273.06641 155.5
[M+HCOO]- 335.06735 180.6
[M+CH3COO]- 349.08300 175.9
[M+Na-2H]- 311.04382 171.8
[M]+ 290.06860 165.3
[M]- 290.06970 165.3
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.