CID 122674

N,5-bis(4-chlorophenyl)-3-(ethylimino)-3,5-dihydro-2-phenazinamine

Structural Information

Molecular Formula
C26H20Cl2N4
SMILES
CCN=C1C=C2C(=NC3=CC=CC=C3N2C4=CC=C(C=C4)Cl)C=C1NC5=CC=C(C=C5)Cl
InChI
InChI=1S/C26H20Cl2N4/c1-2-29-22-16-26-24(15-23(22)30-19-11-7-17(27)8-12-19)31-21-5-3-4-6-25(21)32(26)20-13-9-18(28)10-14-20/h3-16,30H,2H2,1H3
InChIKey
BYKKMDXGWCEUAY-UHFFFAOYSA-N
Compound name
N,5-bis(4-chlorophenyl)-3-ethyliminophenazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

8
Patents

458.1065 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.11378 211.0
[M+Na]+ 481.09572 221.5
[M-H]- 457.09922 219.4
[M+NH4]+ 476.14032 220.0
[M+K]+ 497.06966 211.1
[M+H-H2O]+ 441.10376 198.2
[M+HCOO]- 503.10470 222.4
[M+CH3COO]- 517.12035 219.2
[M+Na-2H]- 479.08117 216.4
[M]+ 458.10595 215.6
[M]- 458.10705 215.6
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