CID 135406363

N,n-dimethyl-5-((phenylmethyl)thio)-1h-1,2,3-triazole-4-carboximidamide monohydrochloride

Structural Information

Molecular Formula
C12H15N5S
SMILES
CN(C)C(=N)C1=NNN=C1SCC2=CC=CC=C2
InChI
InChI=1S/C12H15N5S/c1-17(2)11(13)10-12(15-16-14-10)18-8-9-6-4-3-5-7-9/h3-7,13H,8H2,1-2H3,(H,14,15,16)
InChIKey
HPQBNEWIILZGOM-UHFFFAOYSA-N
Compound name
5-benzylsulfanyl-N,N-dimethyl-2H-triazole-4-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

0
Patents

261.10483 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.11211 158.3
[M+Na]+ 284.09405 165.4
[M-H]- 260.09755 161.6
[M+NH4]+ 279.13865 172.7
[M+K]+ 300.06799 161.1
[M+H-H2O]+ 244.10209 149.3
[M+HCOO]- 306.10303 175.4
[M+CH3COO]- 320.11868 198.9
[M+Na-2H]- 282.07950 160.1
[M]+ 261.10428 158.4
[M]- 261.10538 158.4
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.