CID 6482446

N-phenyl-3-(phenyldisulfanyl)-1,2,4-triazole-1-carboxamide

Structural Information

Molecular Formula
C15H12N4OS2
SMILES
C1=CC=C(C=C1)NC(=O)N2C=NC(=N2)SSC3=CC=CC=C3
InChI
InChI=1S/C15H12N4OS2/c20-15(17-12-7-3-1-4-8-12)19-11-16-14(18-19)22-21-13-9-5-2-6-10-13/h1-11H,(H,17,20)
InChIKey
NJBUFNARFHPAFX-UHFFFAOYSA-N
Compound name
N-phenyl-3-(phenyldisulfanyl)-1,2,4-triazole-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

328.04526 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.05254 169.7
[M+Na]+ 351.03448 179.1
[M-H]- 327.03798 176.0
[M+NH4]+ 346.07908 182.0
[M+K]+ 367.00842 172.0
[M+H-H2O]+ 311.04252 161.2
[M+HCOO]- 373.04346 182.6
[M+CH3COO]- 387.05911 180.2
[M+Na-2H]- 349.01993 171.4
[M]+ 328.04471 172.0
[M]- 328.04581 172.0
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.