CID 3010998

6-[2-(2-naphthyl)ethynyl]naphthalene-2-carboxamidine

Structural Information

Molecular Formula
C23H16N2
SMILES
C1=CC=C2C=C(C=CC2=C1)C#CC3=CC4=C(C=C3)C=C(C=C4)C(=N)N
InChI
InChI=1S/C23H16N2/c24-23(25)22-12-11-20-14-17(8-10-21(20)15-22)6-5-16-7-9-18-3-1-2-4-19(18)13-16/h1-4,7-15H,(H3,24,25)
InChIKey
RWCWQQOBWFFJPY-UHFFFAOYSA-N
Compound name
6-(2-naphthalen-2-ylethynyl)naphthalene-2-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

320.13135 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.13863 190.0
[M+Na]+ 343.12057 201.1
[M-H]- 319.12407 194.5
[M+NH4]+ 338.16517 203.0
[M+K]+ 359.09451 188.4
[M+H-H2O]+ 303.12861 175.5
[M+HCOO]- 365.12955 206.2
[M+CH3COO]- 379.14520 198.1
[M+Na-2H]- 341.10602 193.8
[M]+ 320.13080 181.8
[M]- 320.13190 181.8
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.