CID 463092

1,1'-bis(4-methylphenyl)(1,2,3,4-tetraazol-5-yl) disulfide

Structural Information

Molecular Formula
C16H14N8S2
SMILES
CC1=CC=C(C=C1)N2C(=NN=N2)SSC3=NN=NN3C4=CC=C(C=C4)C
InChI
InChI=1S/C16H14N8S2/c1-11-3-7-13(8-4-11)23-15(17-19-21-23)25-26-16-18-20-22-24(16)14-9-5-12(2)6-10-14/h3-10H,1-2H3
InChIKey
DSAVSDIFTHOESM-UHFFFAOYSA-N
Compound name
1-(4-methylphenyl)-5-[[1-(4-methylphenyl)tetrazol-5-yl]disulfanyl]tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.07828 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.08556 181.6
[M+Na]+ 405.06750 197.4
[M-H]- 381.07100 187.4
[M+NH4]+ 400.11210 188.5
[M+K]+ 421.04144 188.2
[M+H-H2O]+ 365.07554 173.0
[M+HCOO]- 427.07648 191.5
[M+CH3COO]- 441.09213 191.8
[M+Na-2H]- 403.05295 179.3
[M]+ 382.07773 188.0
[M]- 382.07883 188.0
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.