CID 135406363

106913-58-0

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]+ 262.112106 158.3
[M+Na]+ 284.094048 165.4
[M-H]- 260.097554 161.6
[M+NH4]+ 279.138653 172.7
[M+K]+ 300.067988 161.1
[M+H-H2O]+ 244.102090 149.3
[M+HCOO]- 306.103031 175.4
[M+CH3COO]- 320.118681 198.9
[M+Na-2H]- 282.079496 160.1
[M]+ 261.10428142 158.4
[M]- 261.10537858 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.