CID 4050442

2-(4,5-dimethoxy-2-nitrophenyl)-1h-imidazo[4,5-b]phenazine

Structural Information

Molecular Formula
C21H15N5O4
SMILES
COC1=C(C=C(C(=C1)C2=NC3=CC4=NC5=CC=CC=C5NC4=CC3=N2)[N+](=O)[O-])OC
InChI
InChI=1S/C21H15N5O4/c1-29-19-7-11(18(26(27)28)10-20(19)30-2)21-24-16-8-14-15(9-17(16)25-21)23-13-6-4-3-5-12(13)22-14/h3-10,22H,1-2H3
InChIKey
NRYNBKOSXGWWIK-UHFFFAOYSA-N
Compound name
2-(4,5-dimethoxy-2-nitrophenyl)-10H-imidazo[4,5-b]phenazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.1124 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.11968 192.4
[M+Na]+ 424.10162 202.5
[M-H]- 400.10512 197.3
[M+NH4]+ 419.14622 200.7
[M+K]+ 440.07556 191.5
[M+H-H2O]+ 384.10966 185.0
[M+HCOO]- 446.11060 210.4
[M+CH3COO]- 460.12625 217.2
[M+Na-2H]- 422.08707 202.3
[M]+ 401.11185 196.6
[M]- 401.11295 196.6
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

No patent data available for this compound.