CID 3010997

6-[2-(7-phenyl-2-naphthyl)ethynyl]naphthalene-2-carboxamidine

Structural Information

Molecular Formula
C29H20N2
SMILES
C1=CC=C(C=C1)C2=CC3=C(C=CC(=C3)C#CC4=CC5=C(C=C4)C=C(C=C5)C(=N)N)C=C2
InChI
InChI=1S/C29H20N2/c30-29(31)27-15-14-24-16-20(9-11-26(24)18-27)6-7-21-8-10-23-12-13-25(19-28(23)17-21)22-4-2-1-3-5-22/h1-5,8-19H,(H3,30,31)
InChIKey
VDORKFAWJPBHPV-UHFFFAOYSA-N
Compound name
6-[2-(7-phenylnaphthalen-2-yl)ethynyl]naphthalene-2-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

396.16266 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.16994 213.4
[M+Na]+ 419.15188 224.1
[M-H]- 395.15538 219.6
[M+NH4]+ 414.19648 222.9
[M+K]+ 435.12582 209.1
[M+H-H2O]+ 379.15992 197.1
[M+HCOO]- 441.16086 228.3
[M+CH3COO]- 455.17651 219.6
[M+Na-2H]- 417.13733 215.3
[M]+ 396.16211 204.6
[M]- 396.16321 204.6
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.