CID 473692

Chembl154405

Structural Information

Molecular Formula
C28H24Cl2N4
SMILES
CCCCN=C1C=C2C(=NC3=CC=CC=C3N2C4=CC=C(C=C4)Cl)C=C1NC5=CC=C(C=C5)Cl
InChI
InChI=1S/C28H24Cl2N4/c1-2-3-16-31-24-18-28-26(17-25(24)32-21-12-8-19(29)9-13-21)33-23-6-4-5-7-27(23)34(28)22-14-10-20(30)11-15-22/h4-15,17-18,32H,2-3,16H2,1H3
InChIKey
XQJOSNKKPXMAFV-UHFFFAOYSA-N
Compound name
3-butylimino-N,5-bis(4-chlorophenyl)phenazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

486.13782 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.14510 219.5
[M+Na]+ 509.12704 229.1
[M-H]- 485.13054 227.5
[M+NH4]+ 504.17164 227.4
[M+K]+ 525.10098 218.3
[M+H-H2O]+ 469.13508 206.3
[M+HCOO]- 531.13602 230.2
[M+CH3COO]- 545.15167 226.8
[M+Na-2H]- 507.11249 223.9
[M]+ 486.13727 224.7
[M]- 486.13837 224.7
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

No patent data available for this compound.