CID 3010992

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

Structural Information

Molecular Formula
C19H14N2O
SMILES
C1=CC=C(C(=C1)C#CC2=CC3=C(C=C2)C=C(C=C3)C(=N)N)O
InChI
InChI=1S/C19H14N2O/c20-19(21)17-10-9-15-11-13(6-8-16(15)12-17)5-7-14-3-1-2-4-18(14)22/h1-4,6,8-12,22H,(H3,20,21)
InChIKey
CVGANBHZRLCMIP-UHFFFAOYSA-N
Compound name
6-[2-(2-hydroxyphenyl)ethynyl]naphthalene-2-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

286.11063 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.117906 178.2
[M+Na]+ 309.099848 188.1
[M-H]- 285.103354 181.4
[M+NH4]+ 304.144453 191.3
[M+K]+ 325.073788 178.2
[M+H-H2O]+ 269.107890 164.7
[M+HCOO]- 331.108831 193.9
[M+CH3COO]- 345.124481 186.6
[M+Na-2H]- 307.085296 180.4
[M]+ 286.11008142 168.6
[M]- 286.11117858 168.6
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.