CID 456287

Schembl12990089

Structural Information

Molecular Formula
C29H23Cl4N5
SMILES
C1CNCCC1N=C2C=C3C(=NC4=CC=CC=C4N3C5=CC(=C(C=C5)Cl)Cl)C=C2NC6=CC(=C(C=C6)Cl)Cl
InChI
InChI=1S/C29H23Cl4N5/c30-20-7-5-18(13-22(20)32)36-25-15-27-29(16-26(25)35-17-9-11-34-12-10-17)38(19-6-8-21(31)23(33)14-19)28-4-2-1-3-24(28)37-27/h1-8,13-17,34,36H,9-12H2
InChIKey
MPBIXWJSASRZGC-UHFFFAOYSA-N
Compound name
N,5-bis(3,4-dichlorophenyl)-3-piperidin-4-yliminophenazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

581.07074 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 582.07802 229.1
[M+Na]+ 604.05996 236.9
[M-H]- 580.06346 233.3
[M+NH4]+ 599.10456 231.2
[M+K]+ 620.03390 227.2
[M+H-H2O]+ 564.06800 214.9
[M+HCOO]- 626.06894 223.4
[M+CH3COO]- 640.08459 232.2
[M+Na-2H]- 602.04541 228.6
[M]+ 581.07019 228.7
[M]- 581.07129 228.7
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

patents stripe