CID 124383906

2-(3-methoxy-4-propoxyphenyl)-1h-imidazo(4,5-b)phenazine 5,10-dioxide

Structural Information

Molecular Formula
C23H21N4O4
SMILES
CCCOC1=C(C=C(C=C1)C2=NC3=CC4=C(C=C3N2)N(C5=CC=CC=C5[N+]4=O)O)OC
InChI
InChI=1S/C23H21N4O4/c1-3-10-31-21-9-8-14(11-22(21)30-2)23-24-15-12-19-20(13-16(15)25-23)27(29)18-7-5-4-6-17(18)26(19)28/h4-9,11-13,28H,3,10H2,1-2H3,(H,24,25)/q+1
InChIKey
GYTCCNUZWXIZPU-UHFFFAOYSA-N
Compound name
10-hydroxy-2-(3-methoxy-4-propoxyphenyl)-1H-imidazo[4,5-b]phenazin-5-ium 5-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.15628 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.16356 205.1
[M+Na]+ 440.14550 217.0
[M-H]- 416.14900 209.0
[M+NH4]+ 435.19010 213.2
[M+K]+ 456.11944 203.5
[M+H-H2O]+ 400.15354 196.2
[M+HCOO]- 462.15448 220.2
[M+CH3COO]- 476.17013 213.5
[M+Na-2H]- 438.13095 212.5
[M]+ 417.15573 211.1
[M]- 417.15683 211.1
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.