CID 4193526

114991-95-6

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 199.3
[M+Na]+ 421.16352 210.2
[M-H]- 397.16702 203.3
[M+NH4]+ 416.20812 208.9
[M+K]+ 437.13746 202.0
[M+H-H2O]+ 381.17156 187.5
[M+HCOO]- 443.17250 214.8
[M+CH3COO]- 457.18815 208.2
[M+Na-2H]- 419.14897 204.2
[M]+ 398.17375 205.3
[M]- 398.17485 205.3
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.