CID 78357617

2-phenyl-1h-imidazo(4,5-b)phenazine 5,10-dioxide

Structural Information

Molecular Formula
C19H13N4O2
SMILES
C1=CC=C(C=C1)C2=NC3=CC4=C(C=C3N2)N(C5=CC=CC=C5[N+]4=O)O
InChI
InChI=1S/C19H13N4O2/c24-22-15-8-4-5-9-16(15)23(25)18-11-14-13(10-17(18)22)20-19(21-14)12-6-2-1-3-7-12/h1-11,24H,(H,20,21)/q+1
InChIKey
GEQQOSKXDFBZOZ-UHFFFAOYSA-N
Compound name
10-hydroxy-2-phenyl-1H-imidazo[4,5-b]phenazin-5-ium 5-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.10385 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.11113 179.0
[M+Na]+ 352.09307 192.0
[M-H]- 328.09657 182.9
[M+NH4]+ 347.13767 190.6
[M+K]+ 368.06701 177.5
[M+H-H2O]+ 312.10111 171.0
[M+HCOO]- 374.10205 195.5
[M+CH3COO]- 388.11770 189.2
[M+Na-2H]- 350.07852 189.7
[M]+ 329.10330 180.6
[M]- 329.10440 180.6
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.