CID 160409

Renytoline

Structural Information

Molecular Formula
C21H16N2
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3C2=CC4=CC=C(C=C4)C(=N)N
InChI
InChI=1S/C21H16N2/c22-21(23)15-11-9-14(10-12-15)13-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-13H,(H3,22,23)
InChIKey
WOVTUUKKGNHVFZ-UHFFFAOYSA-N
Compound name
4-(fluoren-9-ylidenemethyl)benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

8090
Patents

296.13135 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.138626 168.7
[M+Na]+ 319.120568 176.4
[M-H]- 295.124074 177.0
[M+NH4]+ 314.165173 186.8
[M+K]+ 335.094508 168.6
[M+H-H2O]+ 279.128610 161.0
[M+HCOO]- 341.129551 191.8
[M+CH3COO]- 355.145201 180.2
[M+Na-2H]- 317.106016 173.1
[M]+ 296.13080142 165.4
[M]- 296.13189858 165.4
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

patents stripe