CID 473680

Chembl153396

Structural Information

Molecular Formula
C31H30N4
SMILES
C1CCCC(CC1)N=C2C=C3C(=NC4=CC=CC=C4N3C5=CC=CC=C5)C=C2NC6=CC=CC=C6
InChI
InChI=1S/C31H30N4/c1-2-6-14-24(13-5-1)33-28-22-31-29(21-27(28)32-23-15-7-3-8-16-23)34-26-19-11-12-20-30(26)35(31)25-17-9-4-10-18-25/h3-4,7-12,15-22,24,32H,1-2,5-6,13-14H2
InChIKey
YXXBMSSXWGCJGC-UHFFFAOYSA-N
Compound name
3-cycloheptylimino-N,5-diphenylphenazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

458.24704 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.25432 218.3
[M+Na]+ 481.23626 222.1
[M-H]- 457.23976 229.8
[M+NH4]+ 476.28086 224.2
[M+K]+ 497.21020 217.1
[M+H-H2O]+ 441.24430 205.1
[M+HCOO]- 503.24524 234.3
[M+CH3COO]- 517.26089 224.1
[M+Na-2H]- 479.22171 222.4
[M]+ 458.24649 210.1
[M]- 458.24759 210.1
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.