CID 3049246

1h-1,2,4-triazole-1-carboxamide, 3-tert-butyl-n,n-dimethyl-5-(methylthio)-

Structural Information

Molecular Formula
C10H18N4OS
SMILES
CC(C)(C)C1=NN(C(=N1)SC)C(=O)N(C)C
InChI
InChI=1S/C10H18N4OS/c1-10(2,3)7-11-8(16-6)14(12-7)9(15)13(4)5/h1-6H3
InChIKey
KTNASTXPFZXJSJ-UHFFFAOYSA-N
Compound name
3-tert-butyl-N,N-dimethyl-5-methylsulfanyl-1,2,4-triazole-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

242.12013 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.12741 157.0
[M+Na]+ 265.10935 166.1
[M-H]- 241.11285 159.2
[M+NH4]+ 260.15395 174.3
[M+K]+ 281.08329 165.1
[M+H-H2O]+ 225.11739 149.9
[M+HCOO]- 287.11833 172.3
[M+CH3COO]- 301.13398 197.2
[M+Na-2H]- 263.09480 157.0
[M]+ 242.11958 162.5
[M]- 242.12068 162.5
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

patents stripe