CID 456286

(3z)-8-chloro-n,5-bis(4-chlorophenyl)-3-ethylimino-phenazin-2-amine

Structural Information

Molecular Formula
C26H19Cl3N4
SMILES
CCN=C1C=C2C(=NC3=C(N2C4=CC=C(C=C4)Cl)C=CC(=C3)Cl)C=C1NC5=CC=C(C=C5)Cl
InChI
InChI=1S/C26H19Cl3N4/c1-2-30-21-15-26-24(14-22(21)31-19-8-3-16(27)4-9-19)32-23-13-18(29)7-12-25(23)33(26)20-10-5-17(28)6-11-20/h3-15,31H,2H2,1H3
InChIKey
YYBWZTHXFDXVJF-UHFFFAOYSA-N
Compound name
8-chloro-N,5-bis(4-chlorophenyl)-3-ethyliminophenazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

492.06754 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.07482 216.3
[M+Na]+ 515.05676 227.5
[M-H]- 491.06026 223.4
[M+NH4]+ 510.10136 224.5
[M+K]+ 531.03070 217.4
[M+H-H2O]+ 475.06480 204.1
[M+HCOO]- 537.06574 222.4
[M+CH3COO]- 551.08139 223.7
[M+Na-2H]- 513.04221 219.8
[M]+ 492.06699 222.0
[M]- 492.06809 222.0
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