CID 456265

B797

Structural Information

Molecular Formula
C29H24Cl2N4
SMILES
C1CCC(C1)N=C2C=C3C(=NC4=CC=CC=C4N3C5=CC=C(C=C5)Cl)C=C2NC6=CC=C(C=C6)Cl
InChI
InChI=1S/C29H24Cl2N4/c30-19-9-13-22(14-10-19)33-25-17-27-29(18-26(25)32-21-5-1-2-6-21)35(23-15-11-20(31)12-16-23)28-8-4-3-7-24(28)34-27/h3-4,7-18,21,33H,1-2,5-6H2
InChIKey
UHBXKEQVCKYVRK-UHFFFAOYSA-N
Compound name
N,5-bis(4-chlorophenyl)-3-cyclopentyliminophenazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

498.13782 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.14510 221.4
[M+Na]+ 521.12704 229.7
[M-H]- 497.13054 232.2
[M+NH4]+ 516.17164 229.9
[M+K]+ 537.10098 218.9
[M+H-H2O]+ 481.13508 207.8
[M+HCOO]- 543.13602 231.0
[M+CH3COO]- 557.15167 228.3
[M+Na-2H]- 519.11249 222.1
[M]+ 498.13727 222.7
[M]- 498.13837 222.7
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.