CID 221774

Nsc6817

Structural Information

Molecular Formula
C26H21N5
SMILES
C1=CC=C(C=C1)NC2=NN(C(=NC3=CC=CC=C3)N2C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C26H21N5/c1-5-13-21(14-6-1)27-25-29-31(24-19-11-4-12-20-24)26(28-22-15-7-2-8-16-22)30(25)23-17-9-3-10-18-23/h1-20H,(H,27,29)
InChIKey
STYFIGFBSHZRBK-UHFFFAOYSA-N
Compound name
N,1,4-triphenyl-5-phenylimino-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.1797 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.18698 195.9
[M+Na]+ 426.16892 202.5
[M-H]- 402.17242 208.6
[M+NH4]+ 421.21352 202.8
[M+K]+ 442.14286 193.4
[M+H-H2O]+ 386.17696 181.6
[M+HCOO]- 448.17790 219.7
[M+CH3COO]- 462.19355 204.9
[M+Na-2H]- 424.15437 201.3
[M]+ 403.17915 193.9
[M]- 403.18025 193.9
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.