CID 160409

Paranyline hydrochloride

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
1
Annotation Hits

0
References

7879
Patents

296.13135 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.13863 168.7
[M+Na]+ 319.12057 176.4
[M-H]- 295.12407 177.0
[M+NH4]+ 314.16517 186.8
[M+K]+ 335.09451 168.6
[M+H-H2O]+ 279.12861 161.0
[M+HCOO]- 341.12955 191.8
[M+CH3COO]- 355.14520 180.2
[M+Na-2H]- 317.10602 173.1
[M]+ 296.13080 165.4
[M]- 296.13190 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