CID 3010996

Chembl252905

Structural Information

Molecular Formula
C26H20N2O
SMILES
C1=CC=C(C=C1)COC2=CC=CC(=C2)C#CC3=CC4=C(C=C3)C=C(C=C4)C(=N)N
InChI
InChI=1S/C26H20N2O/c27-26(28)24-14-13-22-15-20(11-12-23(22)17-24)10-9-19-7-4-8-25(16-19)29-18-21-5-2-1-3-6-21/h1-8,11-17H,18H2,(H3,27,28)
InChIKey
VSJIPBGSHMTXOW-UHFFFAOYSA-N
Compound name
6-[2-(3-phenylmethoxyphenyl)ethynyl]naphthalene-2-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

376.15756 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.16484 204.1
[M+Na]+ 399.14678 212.7
[M-H]- 375.15028 209.5
[M+NH4]+ 394.19138 213.5
[M+K]+ 415.12072 200.7
[M+H-H2O]+ 359.15482 188.1
[M+HCOO]- 421.15576 219.5
[M+CH3COO]- 435.17141 210.5
[M+Na-2H]- 397.13223 205.0
[M]+ 376.15701 195.3
[M]- 376.15811 195.3
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.