CID 473706

(3e)-n,5-bis(4-chlorophenyl)-3-(4-chlorophenyl)imino-phenazin-2-amine

Structural Information

Molecular Formula
C30H19Cl3N4
SMILES
C1=CC=C2C(=C1)N=C3C=C(C(=NC4=CC=C(C=C4)Cl)C=C3N2C5=CC=C(C=C5)Cl)NC6=CC=C(C=C6)Cl
InChI
InChI=1S/C30H19Cl3N4/c31-19-5-11-22(12-6-19)34-26-17-28-30(18-27(26)35-23-13-7-20(32)8-14-23)37(24-15-9-21(33)10-16-24)29-4-2-1-3-25(29)36-28/h1-18,34H
InChIKey
BMLNSDPHWCISGY-UHFFFAOYSA-N
Compound name
N,5-bis(4-chlorophenyl)-3-(4-chlorophenyl)iminophenazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

540.0675 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 541.07478 227.3
[M+Na]+ 563.05672 237.7
[M-H]- 539.06022 236.5
[M+NH4]+ 558.10132 232.6
[M+K]+ 579.03066 226.9
[M+H-H2O]+ 523.06476 212.8
[M+HCOO]- 585.06570 232.8
[M+CH3COO]- 599.08135 233.5
[M+Na-2H]- 561.04217 230.8
[M]+ 540.06695 231.9
[M]- 540.06805 231.9
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

No patent data available for this compound.