CID 473700

(3e)-n,5-bis(4-chlorophenyl)-3-(3,5-dimethylcyclohexyl)imino-phenazin-2-amine

Structural Information

Molecular Formula
C32H30Cl2N4
SMILES
CC1CC(CC(C1)N=C2C=C3C(=NC4=CC=CC=C4N3C5=CC=C(C=C5)Cl)C=C2NC6=CC=C(C=C6)Cl)C
InChI
InChI=1S/C32H30Cl2N4/c1-20-15-21(2)17-25(16-20)36-29-19-32-30(18-28(29)35-24-11-7-22(33)8-12-24)37-27-5-3-4-6-31(27)38(32)26-13-9-23(34)10-14-26/h3-14,18-21,25,35H,15-17H2,1-2H3
InChIKey
AOIWEPSYNMPLBM-UHFFFAOYSA-N
Compound name
N,5-bis(4-chlorophenyl)-3-(3,5-dimethylcyclohexyl)iminophenazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

540.18475 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 541.19203 235.6
[M+Na]+ 563.17397 243.2
[M-H]- 539.17747 245.5
[M+NH4]+ 558.21857 240.7
[M+K]+ 579.14791 232.3
[M+H-H2O]+ 523.18201 220.4
[M+HCOO]- 585.18295 241.7
[M+CH3COO]- 599.19860 240.8
[M+Na-2H]- 561.15942 235.4
[M]+ 540.18420 236.1
[M]- 540.18530 236.1
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.