CID 473716

(3z)-n-(4-chlorophenyl)-3-(4-chlorophenyl)imino-5-cyclohexyl-phenazin-2-amine

Structural Information

Molecular Formula
C30H26Cl2N4
SMILES
C1CCC(CC1)N2C3=CC=CC=C3N=C4C2=CC(=NC5=CC=C(C=C5)Cl)C(=C4)NC6=CC=C(C=C6)Cl
InChI
InChI=1S/C30H26Cl2N4/c31-20-10-14-22(15-11-20)33-26-18-28-30(19-27(26)34-23-16-12-21(32)13-17-23)36(24-6-2-1-3-7-24)29-9-5-4-8-25(29)35-28/h4-5,8-19,24,33H,1-3,6-7H2
InChIKey
YFRQOKAQLLICEZ-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)-3-(4-chlorophenyl)imino-5-cyclohexylphenazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

512.15344 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 513.16072 223.7
[M+Na]+ 535.14266 230.6
[M-H]- 511.14616 233.2
[M+NH4]+ 530.18726 229.4
[M+K]+ 551.11660 219.8
[M+H-H2O]+ 495.15070 208.7
[M+HCOO]- 557.15164 230.6
[M+CH3COO]- 571.16729 229.3
[M+Na-2H]- 533.12811 226.3
[M]+ 512.15289 222.9
[M]- 512.15399 222.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.