CID 494120

Nsc128821

Structural Information

Molecular Formula
C17H12N2O3
SMILES
COC1=C(C=C2C(=C1)N=C3C4=CC=CC=C4C(=O)C3=N2)OC
InChI
InChI=1S/C17H12N2O3/c1-21-13-7-11-12(8-14(13)22-2)19-16-15(18-11)9-5-3-4-6-10(9)17(16)20/h3-8H,1-2H3
InChIKey
OMRDUBRAMHMBGA-UHFFFAOYSA-N
Compound name
7,8-dimethoxyindeno[1,2-b]quinoxalin-11-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.08478 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.09206 165.8
[M+Na]+ 315.07400 178.1
[M-H]- 291.07750 170.7
[M+NH4]+ 310.11860 183.9
[M+K]+ 331.04794 173.0
[M+H-H2O]+ 275.08204 157.5
[M+HCOO]- 337.08298 185.7
[M+CH3COO]- 351.09863 178.5
[M+Na-2H]- 313.05945 172.2
[M]+ 292.08423 171.8
[M]- 292.08533 171.8
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.