CID 71755857

4-(methylsulfanyl)-1-phenyl-1h-pyrazol-5-amine

Structural Information

Molecular Formula
C10H11N3S
SMILES
CSC1=C(N(N=C1)C2=CC=CC=C2)N
InChI
InChI=1S/C10H11N3S/c1-14-9-7-12-13(10(9)11)8-5-3-2-4-6-8/h2-7H,11H2,1H3
InChIKey
AENOHJSNAVEPLG-UHFFFAOYSA-N
Compound name
4-methylsulfanyl-1-phenylpyrazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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 152.5
[M-H]- 204.060094 147.0
[M+NH4]+ 223.101193 161.0
[M+K]+ 244.030528 148.1
[M+H-H2O]+ 188.064630 134.9
[M+HCOO]- 250.065571 161.6
[M+CH3COO]- 264.081221 155.6
[M+Na-2H]- 226.042036 144.7
[M]+ 205.06682142 143.3
[M]- 205.06791858 143.3
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