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

literature stripe

Patent stripe

patents stripe