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 203.5
[M+Na]+ 435.17912 221.8
[M+NH4]+ 430.22372 210.8
[M+K]+ 451.15306 213.8
[M-H]- 411.18262 207.7
[M+Na-2H]- 433.16457 210.9
[M]+ 412.18935 207.6
[M]- 412.19045 207.6
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