CID 473678

Chembl357550

Structural Information

Molecular Formula
C31H30N4
SMILES
CC1CCC(CC1)N=C2C=C3C(=NC4=CC=CC=C4N3C5=CC=CC=C5)C=C2NC6=CC=CC=C6
InChI
InChI=1S/C31H30N4/c1-22-16-18-24(19-17-22)33-28-21-31-29(20-27(28)32-23-10-4-2-5-11-23)34-26-14-8-9-15-30(26)35(31)25-12-6-3-7-13-25/h2-15,20-22,24,32H,16-19H2,1H3
InChIKey
PXPOTGGZOHDPQA-UHFFFAOYSA-N
Compound name
3-(4-methylcyclohexyl)imino-N,5-diphenylphenazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

458.24704 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.25432 213.5
[M+Na]+ 481.23626 217.8
[M-H]- 457.23976 224.0
[M+NH4]+ 476.28086 219.5
[M+K]+ 497.21020 208.0
[M+H-H2O]+ 441.24430 197.8
[M+HCOO]- 503.24524 229.5
[M+CH3COO]- 517.26089 219.5
[M+Na-2H]- 479.22171 217.8
[M]+ 458.24649 207.8
[M]- 458.24759 207.8
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.