CID 3260821

114991-97-8

Structural Information

Molecular Formula
C25H24N4O2
SMILES
CC(C)CCOC1=C(C=C(C=C1)C2=NC3=CC4=NC5=CC=CC=C5NC4=CC3=N2)OC
InChI
InChI=1S/C25H24N4O2/c1-15(2)10-11-31-23-9-8-16(12-24(23)30-3)25-28-21-13-19-20(14-22(21)29-25)27-18-7-5-4-6-17(18)26-19/h4-9,12-15,26H,10-11H2,1-3H3
InChIKey
PLQYZIWIFZBEHX-UHFFFAOYSA-N
Compound name
2-[3-methoxy-4-(3-methylbutoxy)phenyl]-10H-imidazo[4,5-b]phenazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

412.1899 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.19718 203.8
[M+Na]+ 435.17912 214.2
[M-H]- 411.18262 207.5
[M+NH4]+ 430.22372 212.7
[M+K]+ 451.15306 205.7
[M+H-H2O]+ 395.18716 191.7
[M+HCOO]- 457.18810 218.8
[M+CH3COO]- 471.20375 212.1
[M+Na-2H]- 433.16457 208.0
[M]+ 412.18935 209.9
[M]- 412.19045 209.9
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

patents stripe