CID 4193526

2-(4-isobutoxy-3-methoxyphenyl)-1h-imidazo[4,5-b]phenazine

Structural Information

Molecular Formula
C24H22N4O2
SMILES
CC(C)COC1=C(C=C(C=C1)C2=NC3=CC4=NC5=CC=CC=C5NC4=CC3=N2)OC
InChI
InChI=1S/C24H22N4O2/c1-14(2)13-30-22-9-8-15(10-23(22)29-3)24-27-20-11-18-19(12-21(20)28-24)26-17-7-5-4-6-16(17)25-18/h4-12,14,25H,13H2,1-3H3
InChIKey
TUIUJUKDUOQFFX-UHFFFAOYSA-N
Compound name
2-[3-methoxy-4-(2-methylpropoxy)phenyl]-10H-imidazo[4,5-b]phenazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.1743 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.18158 198.9
[M+Na]+ 421.16352 217.5
[M+NH4]+ 416.20812 206.5
[M+K]+ 437.13746 209.7
[M-H]- 397.16702 203.2
[M+Na-2H]- 419.14897 206.6
[M]+ 398.17375 203.1
[M]- 398.17485 203.1
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.