CID 5276262

2-naphthyl-[1-(1-naphthyl)triazol-4-yl]methanone

Structural Information

Molecular Formula
C23H15N3O
SMILES
C1=CC=C2C=C(C=CC2=C1)C(=O)C3=CN(N=N3)C4=CC=CC5=CC=CC=C54
InChI
InChI=1S/C23H15N3O/c27-23(19-13-12-16-6-1-2-8-18(16)14-19)21-15-26(25-24-21)22-11-5-9-17-7-3-4-10-20(17)22/h1-15H
InChIKey
XLAPSSOTMBEKDG-UHFFFAOYSA-N
Compound name
naphthalen-2-yl-(1-naphthalen-1-yltriazol-4-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

349.12152 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.12880 184.0
[M+Na]+ 372.11074 193.8
[M-H]- 348.11424 192.0
[M+NH4]+ 367.15534 195.7
[M+K]+ 388.08468 185.5
[M+H-H2O]+ 332.11878 172.0
[M+HCOO]- 394.11972 203.0
[M+CH3COO]- 408.13537 194.2
[M+Na-2H]- 370.09619 189.7
[M]+ 349.12097 185.3
[M]- 349.12207 185.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.