CID 12778948

3,5-diphenyl-4-(1-naphthyl)-1h-1,2,4-triazole

Structural Information

Molecular Formula
C24H17N3
SMILES
C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC4=CC=CC=C43)C5=CC=CC=C5
InChI
InChI=1S/C24H17N3/c1-3-11-19(12-4-1)23-25-26-24(20-13-5-2-6-14-20)27(23)22-17-9-15-18-10-7-8-16-21(18)22/h1-17H
InChIKey
AOQKGYRILLEVJV-UHFFFAOYSA-N
Compound name
4-naphthalen-1-yl-3,5-diphenyl-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16806
Patents

347.14224 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.14952 184.7
[M+Na]+ 370.13146 194.4
[M-H]- 346.13496 194.6
[M+NH4]+ 365.17606 195.4
[M+K]+ 386.10540 185.2
[M+H-H2O]+ 330.13950 172.0
[M+HCOO]- 392.14044 205.4
[M+CH3COO]- 406.15609 195.0
[M+Na-2H]- 368.11691 190.3
[M]+ 347.14169 184.8
[M]- 347.14279 184.8
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

patents stripe