CID 5096486

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

Structural Information

Molecular Formula
C19H11ClN4
SMILES
C1=CC=C2C(=C1)NC3=CC4=NC(=NC4=CC3=N2)C5=CC(=CC=C5)Cl
InChI
InChI=1S/C19H11ClN4/c20-12-5-3-4-11(8-12)19-23-17-9-15-16(10-18(17)24-19)22-14-7-2-1-6-13(14)21-15/h1-10,21H
InChIKey
YYCJAIBXIHTUDO-UHFFFAOYSA-N
Compound name
2-(3-chlorophenyl)-10H-imidazo[4,5-b]phenazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

330.06723 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.07451 175.4
[M+Na]+ 353.05645 189.6
[M-H]- 329.05995 179.2
[M+NH4]+ 348.10105 188.8
[M+K]+ 369.03039 179.1
[M+H-H2O]+ 313.06449 164.5
[M+HCOO]- 375.06543 188.8
[M+CH3COO]- 389.08108 186.3
[M+Na-2H]- 351.04190 184.1
[M]+ 330.06668 179.7
[M]- 330.06778 179.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe