CID 626762

4073-72-7

Structural Information

Molecular Formula
C20H15N3
SMILES
C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C20H15N3/c1-4-10-16(11-5-1)19-21-22-20(17-12-6-2-7-13-17)23(19)18-14-8-3-9-15-18/h1-15H
InChIKey
LLTSIOOHJBUDCP-UHFFFAOYSA-N
Compound name
3,4,5-triphenyl-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1361
Patents

297.1266 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.13388 169.9
[M+Na]+ 320.11582 178.2
[M-H]- 296.11932 178.6
[M+NH4]+ 315.16042 181.6
[M+K]+ 336.08976 170.8
[M+H-H2O]+ 280.12386 157.9
[M+HCOO]- 342.12480 191.2
[M+CH3COO]- 356.14045 180.8
[M+Na-2H]- 318.10127 174.9
[M]+ 297.12605 168.5
[M]- 297.12715 168.5
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