CID 473701

Chembl157266

Structural Information

Molecular Formula
C31H28Cl2N4
SMILES
C1CCCC(CC1)N=C2C=C3C(=NC4=CC=CC=C4N3C5=CC=C(C=C5)Cl)C=C2NC6=CC=C(C=C6)Cl
InChI
InChI=1S/C31H28Cl2N4/c32-21-11-15-24(16-12-21)35-27-19-29-31(20-28(27)34-23-7-3-1-2-4-8-23)37(25-17-13-22(33)14-18-25)30-10-6-5-9-26(30)36-29/h5-6,9-20,23,35H,1-4,7-8H2
InChIKey
OOIXQBZCAYAZQO-UHFFFAOYSA-N
Compound name
N,5-bis(4-chlorophenyl)-3-cycloheptyliminophenazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

526.1691 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 527.17638 232.4
[M+Na]+ 549.15832 240.5
[M-H]- 525.16182 242.8
[M+NH4]+ 544.20292 238.2
[M+K]+ 565.13226 234.7
[M+H-H2O]+ 509.16636 218.4
[M+HCOO]- 571.16730 239.8
[M+CH3COO]- 585.18295 237.9
[M+Na-2H]- 547.14377 234.0
[M]+ 526.16855 229.4
[M]- 526.16965 229.4
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.