CID 5470129

Nsc697879

Structural Information

Molecular Formula
C28H16N6
SMILES
C1=CC=C2C(=C1)C3=NC4=C(C=C(C=C4)C5=CC6=C(C=C5)N=C7C8=CC=CC=C8NC7=N6)N=C3N2
InChI
InChI=1S/C28H16N6/c1-3-7-19-17(5-1)25-27(31-19)33-23-13-15(9-11-21(23)29-25)16-10-12-22-24(14-16)34-28-26(30-22)18-6-2-4-8-20(18)32-28/h1-14H,(H,31,33)(H,32,34)
InChIKey
OEXYMCOIPJJMFP-UHFFFAOYSA-N
Compound name
3-(6H-indolo[3,2-b]quinoxalin-3-yl)-6H-indolo[3,2-b]quinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.14365 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.15093 199.2
[M+Na]+ 459.13287 213.6
[M-H]- 435.13637 204.1
[M+NH4]+ 454.17747 208.0
[M+K]+ 475.10681 200.5
[M+H-H2O]+ 419.14091 186.4
[M+HCOO]- 481.14185 211.7
[M+CH3COO]- 495.15750 207.3
[M+Na-2H]- 457.11832 206.8
[M]+ 436.14310 203.3
[M]- 436.14420 203.3
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.