CID 124383905

2-(4-(benzyloxy)-3-methoxyphenyl)-1h-imidazo(4,5-b)phenazine 5,10-dioxide

Structural Information

Molecular Formula
C27H21N4O4
SMILES
COC1=C(C=CC(=C1)C2=NC3=CC4=C(C=C3N2)N(C5=CC=CC=C5[N+]4=O)O)OCC6=CC=CC=C6
InChI
InChI=1S/C27H21N4O4/c1-34-26-13-18(11-12-25(26)35-16-17-7-3-2-4-8-17)27-28-19-14-23-24(15-20(19)29-27)31(33)22-10-6-5-9-21(22)30(23)32/h2-15,32H,16H2,1H3,(H,28,29)/q+1
InChIKey
DSEJGCOZPWLIBT-UHFFFAOYSA-N
Compound name
10-hydroxy-2-(3-methoxy-4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]phenazin-5-ium 5-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

465.15628 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.16356 217.6
[M+Na]+ 488.14550 228.2
[M-H]- 464.14900 224.3
[M+NH4]+ 483.19010 222.7
[M+K]+ 504.11944 214.0
[M+H-H2O]+ 448.15354 206.7
[M+HCOO]- 510.15448 231.9
[M+CH3COO]- 524.17013 224.7
[M+Na-2H]- 486.13095 224.7
[M]+ 465.15573 221.8
[M]- 465.15683 221.8
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.