CID 2725972

N,n-dimethyl-3-phenyl-1,2,4-thiadiazol-5-amine

Structural Information

Molecular Formula
C10H11N3S
SMILES
CN(C)C1=NC(=NS1)C2=CC=CC=C2
InChI
InChI=1S/C10H11N3S/c1-13(2)10-11-9(12-14-10)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKey
WJSYQWGVCFCCKI-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-phenyl-1,2,4-thiadiazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

205.06737 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.074646 142.2
[M+Na]+ 228.056588 151.7
[M-H]- 204.060094 148.6
[M+NH4]+ 223.101193 161.6
[M+K]+ 244.030528 149.1
[M+H-H2O]+ 188.064630 134.3
[M+HCOO]- 250.065571 162.7
[M+CH3COO]- 264.081221 156.0
[M+Na-2H]- 226.042036 145.7
[M]+ 205.06682142 145.1
[M]- 205.06791858 145.1
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.