CID 510109

3-phenyl-5-(1-phenyltetrazol-5-yl)sulfanyl-1,2,4-triazol-4-amine

Structural Information

Molecular Formula
C15H12N8S
SMILES
C1=CC=C(C=C1)C2=NN=C(N2N)SC3=NN=NN3C4=CC=CC=C4
InChI
InChI=1S/C15H12N8S/c16-22-13(11-7-3-1-4-8-11)17-18-14(22)24-15-19-20-21-23(15)12-9-5-2-6-10-12/h1-10H,16H2
InChIKey
LDJCYHIGFWIMRA-UHFFFAOYSA-N
Compound name
3-phenyl-5-(1-phenyltetrazol-5-yl)sulfanyl-1,2,4-triazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

336.09058 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.09786 172.2
[M+Na]+ 359.07980 185.4
[M-H]- 335.08330 178.5
[M+NH4]+ 354.12440 180.4
[M+K]+ 375.05374 177.3
[M+H-H2O]+ 319.08784 161.5
[M+HCOO]- 381.08878 188.5
[M+CH3COO]- 395.10443 182.9
[M+Na-2H]- 357.06525 173.9
[M]+ 336.09003 175.2
[M]- 336.09113 175.2
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.