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]+ 299.063096 165.9
[M+Na]+ 321.045038 178.9
[M-H]- 297.048544 169.0
[M+NH4]+ 316.089643 179.4
[M+K]+ 337.018978 173.1
[M+H-H2O]+ 281.053080 159.0
[M+HCOO]- 343.054021 175.7
[M+CH3COO]- 357.069671 199.8
[M+Na-2H]- 319.030486 165.1
[M]+ 298.05527142 172.1
[M]- 298.05636858 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.