CID 465091

Isopropyl 1-mesityl-1h-tetraazol-5-yl sulfide

Structural Information

Molecular Formula
C13H18N4S
SMILES
CC1=CC(=C(C(=C1)C)N2C(=NN=N2)SC(C)C)C
InChI
InChI=1S/C13H18N4S/c1-8(2)18-13-14-15-16-17(13)12-10(4)6-9(3)7-11(12)5/h6-8H,1-5H3
InChIKey
CERUDYOTLIYTBD-UHFFFAOYSA-N
Compound name
5-propan-2-ylsulfanyl-1-(2,4,6-trimethylphenyl)tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

262.1252 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.13248 160.1
[M+Na]+ 285.11442 171.5
[M-H]- 261.11792 163.0
[M+NH4]+ 280.15902 175.0
[M+K]+ 301.08836 166.9
[M+H-H2O]+ 245.12246 151.8
[M+HCOO]- 307.12340 174.4
[M+CH3COO]- 321.13905 199.1
[M+Na-2H]- 283.09987 158.6
[M]+ 262.12465 165.1
[M]- 262.12575 165.1
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

No patent data available for this compound.