CID 124392155

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

Structural Information

Molecular Formula
C19H12ClN4O2
SMILES
C1=CC=C2C(=C1)N(C3=C([N+]2=O)C=C4C(=C3)NC(=N4)C5=CC=C(C=C5)Cl)O
InChI
InChI=1S/C19H12ClN4O2/c20-12-7-5-11(6-8-12)19-21-13-9-17-18(10-14(13)22-19)24(26)16-4-2-1-3-15(16)23(17)25/h1-10,25H,(H,21,22)/q+1
InChIKey
XNELDSQOCLFQAP-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-10-hydroxy-1H-imidazo[4,5-b]phenazin-5-ium 5-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.06488 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.07216 185.2
[M+Na]+ 386.05410 199.5
[M-H]- 362.05760 188.9
[M+NH4]+ 381.09870 196.4
[M+K]+ 402.02804 184.3
[M+H-H2O]+ 346.06214 177.5
[M+HCOO]- 408.06308 197.0
[M+CH3COO]- 422.07873 195.2
[M+Na-2H]- 384.03955 194.6
[M]+ 363.06433 189.4
[M]- 363.06543 189.4
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.