CID 136748749

2-(1,4-dioxido-2-quinoxalinyl)-1h-imidazo(4,5-b)phenazine

Structural Information

Molecular Formula
C21H13N6O2
SMILES
C1=CC=C2C(=C1)NC3=CC4=NC(=NC4=CC3=N2)C5=C[N+](=O)C6=CC=CC=C6N5O
InChI
InChI=1S/C21H13N6O2/c28-26-11-20(27(29)19-8-4-3-7-18(19)26)21-24-16-9-14-15(10-17(16)25-21)23-13-6-2-1-5-12(13)22-14/h1-11,22,29H/q+1
InChIKey
RSQWMUQUTIDACC-UHFFFAOYSA-N
Compound name
4-hydroxy-3-(10H-imidazo[4,5-b]phenazin-2-yl)quinoxalin-1-ium 1-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.11 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.11728 193.7
[M+Na]+ 404.09922 207.1
[M-H]- 380.10272 196.2
[M+NH4]+ 399.14382 201.0
[M+K]+ 420.07316 191.3
[M+H-H2O]+ 364.10726 183.6
[M+HCOO]- 426.10820 205.9
[M+CH3COO]- 440.12385 201.8
[M+Na-2H]- 402.08467 204.9
[M]+ 381.10945 195.6
[M]- 381.11055 195.6
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.