CID 16788899

1159942-71-8

Structural Information

Molecular Formula
C7H8N4S
SMILES
CC1=CSC(=N1)C2=C(NN=C2)N
InChI
InChI=1S/C7H8N4S/c1-4-3-12-7(10-4)5-2-9-11-6(5)8/h2-3H,1H3,(H3,8,9,11)
InChIKey
NKIPKFWIXYDXIL-UHFFFAOYSA-N
Compound name
4-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

180.04697 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.054246 134.1
[M+Na]+ 203.036188 146.3
[M-H]- 179.039694 137.3
[M+NH4]+ 198.080793 153.8
[M+K]+ 219.010128 142.2
[M+H-H2O]+ 163.044230 127.2
[M+HCOO]- 225.045171 154.0
[M+CH3COO]- 239.060821 148.1
[M+Na-2H]- 201.021636 135.7
[M]+ 180.04642142 135.2
[M]- 180.04751858 135.2
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