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]+ 287.11791 178.2
[M+Na]+ 309.09985 188.1
[M-H]- 285.10335 181.4
[M+NH4]+ 304.14445 191.3
[M+K]+ 325.07379 178.2
[M+H-H2O]+ 269.10789 164.7
[M+HCOO]- 331.10883 193.9
[M+CH3COO]- 345.12448 186.6
[M+Na-2H]- 307.08530 180.4
[M]+ 286.11008 168.6
[M]- 286.11118 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.