CID 326376

52065-86-8

Structural Information

Molecular Formula
C11H14N4O2S2
SMILES
CC1=CC(=C(C(=C1)C)S(=O)(=O)SC2=NN=NN2C)C
InChI
InChI=1S/C11H14N4O2S2/c1-7-5-8(2)10(9(3)6-7)19(16,17)18-11-12-13-14-15(11)4/h5-6H,1-4H3
InChIKey
YNZVHRCPNYQLEI-UHFFFAOYSA-N
Compound name
1-methyl-5-(2,4,6-trimethylphenyl)sulfonylsulfanyltetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.05582 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.06310 165.9
[M+Na]+ 321.04504 178.9
[M-H]- 297.04854 169.0
[M+NH4]+ 316.08964 179.4
[M+K]+ 337.01898 173.1
[M+H-H2O]+ 281.05308 159.0
[M+HCOO]- 343.05402 175.7
[M+CH3COO]- 357.06967 199.8
[M+Na-2H]- 319.03049 165.1
[M]+ 298.05527 172.1
[M]- 298.05637 172.1
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.