CID 51060091

4-(5,10-dioxido-1h-imidazo[4,5-b]phenazin-2-yl)-2-ethoxyphenol

Structural Information

Molecular Formula
C21H16N4O4
SMILES
CCOC1=CC(=C2N=C3C=C4C(=CC3=N2)N(C5=CC=CC=C5N4O)O)C=CC1=O
InChI
InChI=1S/C21H16N4O4/c1-2-29-20-9-12(7-8-19(20)26)21-22-13-10-17-18(11-14(13)23-21)25(28)16-6-4-3-5-15(16)24(17)27/h3-11,27-28H,2H2,1H3
InChIKey
DJRQVEIQZVIJBM-UHFFFAOYSA-N
Compound name
4-(5,10-dihydroxyimidazo[4,5-b]phenazin-2-ylidene)-2-ethoxycyclohexa-2,5-dien-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.11716 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.12444 194.0
[M+Na]+ 411.10638 205.2
[M-H]- 387.10988 196.8
[M+NH4]+ 406.15098 203.5
[M+K]+ 427.08032 197.3
[M+H-H2O]+ 371.11442 183.3
[M+HCOO]- 433.11536 206.4
[M+CH3COO]- 447.13101 202.5
[M+Na-2H]- 409.09183 197.0
[M]+ 388.11661 196.1
[M]- 388.11771 196.1
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.